/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReSe2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsClSe-BiTeI-NM']_int-Int_Cl_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2P2Se6-ScPSe3-NM']_int-Int_P_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Cl2N2-FeOCl-NM']_int-Int_N_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Co2Te2-GaS-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTiAs-BiTeI-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Cl2N2-FeOCl-NM']_int-Int_N_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2O2-FeSe-NM']_int-Int_O_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2O2-RhO-NM']_int-Int_Rh_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2P2Se6-MnPSe3-NM']_int-Int_Se_Voronoi7_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Br2-FeSe-NM']_int-Int_Br_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2N-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ge2I2N2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2S2-GaSe-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TlBr2-GeS2-NM']_int-Int_Tl_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBrI-BiTeI-NM']_int-Int_Br_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReTe2-CdI2-NM']_int-Int_Te_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsBrS-MoSSe-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2F2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BrSbTe-BiTeI-NM']_int-Int_Br_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['P2Sb2Te6-ScPSe3-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2F2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SbSe2-CdI2-NM']_int-Int_Sb_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfO2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Te2-CH-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CrTe2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaCl2-CdI2-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbF2-GeS2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2Cl2S2-FeOCl-NM']_int-Int_Nb_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['YF2-GeS2-NM']_int-Int_F_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSe2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2Br4-WTe2-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cl2Ge-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgS2-GeS2-NM']_int-Int_Hg_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Co2Br2Se2-FeOCl-NM']_int-Int_Br_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrAsSb-BiTeI-NM']_int-Int_Zr_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZnF2-GeS2-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Br6-BiI3-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaSeTe-MoSSe-NM']_int-Int_Te_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBrI-BiTeI-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2I4-WTe2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AgTe2-GeS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoSTe-MoSSe-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeO2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ba2Cl2-FeSe-NM']_int-Int_Cl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2S2-AuSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Cl2Se2-FeOCl-NM']_int-Int_Se_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Cl2S2-FeOCl-NM']_ext-Int_Li_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf3TiSe8-CrW3S8-NM']_int-Int_Ti_Voronoi6_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Se6-VTe3-NM']_int-Int_Ru_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuTe2-GeS2-NM']_int-Int_Au_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2Cl2-CH-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
Epoch: [0][0/12] Time 24.586 (24.586) Data 24.462 (24.462) Loss 0.9674 (0.9674) Accu 0.523 (0.523) Precision 0.600 (0.600) Recall 0.072 (0.072) F1 0.129 (0.129) AUC 0.541 (0.541)
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2P2Se6-MnPSe3-NM']_int-Int_Os_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr4Br4Se4-HfBrS-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2I2N2-FeOCl-NM']_int-Int_N_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cl2Ge2N2-FeOCl-NM']_int-Int_Ge_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ni2Te2-FeSe-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2F2-FeSe-NM']_int-Int_F_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2I2N2-FeOCl-NM']_int-Int_N_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Cl2N2-FeOCl-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2Br4-WTe2-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Br2S2-FeOCl-NM']_int-Int_S_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WSeTe-BiTeI-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Co2P2S6-MnPSe3-NM']_int-Int_P_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Cl2S2-FeOCl-NM']_int-Int_Cl_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ni2Te2-GaS-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2Se2-GaS-NM']_int-Int_Se_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Te6-VTe3-NM']_int-Int_Te_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnSe2-GeS2-NM']_int-Int_Sn_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ba2Cl2-FeSe-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2I2S2-FeOCl-NM']_int-Int_I_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2Cl2N2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2CO2-Ti2CO2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Br2-FeSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsS2-CdI2-NM']_int-Int_As_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf4I4O4-HfBrS-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ge2Se2-SnS-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgCl2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnCl2-MoS2-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaBr2-GeS2-NM']_int-Int_Br_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2CF2-Ti2CO2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zn2Cl2-FeSe-NM']_int-Int_Zn_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pb2Se2-FeSe-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AgBr2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrSeTe-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2Br2O2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaSe2-GeS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Br6-BiI3-NM']_ext-Int_Li_Voronoi2_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pb2Br2O2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2Te4-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2I2O2-FeOCl-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2S2-GaS-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2CH2O2-Ti2CH2O2-NM']_int-Int_C_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3WSe8-CrW3S8-NM']_int-Int_W_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiBr2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['KTe2-GeS2-NM']_int-Int_K_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2I2N2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2N-CdI2-NM']_int-Int_N_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBr2-GeS2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrTe2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['V2CO2-Ti2CO2-NM']_int-Int_C_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsBrS-MoSSe-NM']_int-Int_S_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeS2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbI2-CdI2-NM']_int-Int_Pb_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiI2-CdI2-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Br2-CH-NM']_int-Int_Ti_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgI2-MoS2-NM']_int-Int_I_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeS2-GeS2-NM']_int-Int_Ge_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2I2S2-FeOCl-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnCl2-MoS2-NM']_int-Int_Sn_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ge2P2Se6-MnPSe3-NM']_int-Int_Se_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pb2Cl2S2-FeOCl-NM']_int-Int_S_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiS2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ge2I2O2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ni2S2-GaS-NM']_ext-Int_H_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnS2-MoS2-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2I2O2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ni2S2-GaS-NM']_int-Int_S_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ni2Te2-FeSe-NM']_int-Int_Ni_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Cl2-FeSe-NM']_int-Int_Cl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2I2N2-FeOCl-NM']_int-Int_N_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiCl2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Se4-WTe2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2P2Se6-MnPSe3-NM']_int-Int_Tl_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2S2-GaSe-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['InI2-CdI2-NM']_int-Int_In_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Br2Ge2O2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['KSe2-GeS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2O2-FeSe-NM']_int-Int_Re_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2Br2Se2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2I2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Cl2N2-FeOCl-NM']_int-Int_N_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['F2Ge-GeS2-NM']_int-Int_Ge_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Se2-CH-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2Br2Se2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Te2-FeSe-NM']_int-Int_Te_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BaBr2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbTe-GeSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaCl2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr4Cl4Se4-HfBrS-NM']_int-Int_Cl_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnBr2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Te2-GaS-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2S2-GaSe-NM']_int-Int_S_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2P2S6-MnPSe3-NM']_int-Int_Ru_Voronoi2_mult3-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Cl2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfTe2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2I2-FeSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Br6-BiI3-NM']_int-Int_Br_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSTe-MoSSe-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Se2-CH-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtI2-GeS2-NM']_int-Int_I_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuTe2-CdI2-NM']_int-Int_Te_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['InSb-GeSe-NM']_int-Int_Sb_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtTe2-GeS2-NM']_int-Int_Pt_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Br2Ge2-FeSe-NM']_int-Int_Ge_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Cl2Se2-FeOCl-NM']_ext-Int_Li_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zn2Se2-CH-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnSe2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrSeTe-BiTeI-NM']_int-Int_Zr_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AgCl2-GeS2-NM']_int-Int_Ag_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2Br2-FeSe-NM']_int-Int_Br_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsITe-BiTeI-NM']_int-Int_Te_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaBrCl-MoSSe-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['OsO2-GeS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrSe2-GeS2-NM']_int-Int_Se_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoBr2-CdI2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3WSe8-CrW3S8-NM']_int-Int_Se_Voronoi6_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SbTe2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbSe-GeSe-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2I2O2-FeOCl-NM']_int-Int_Bi_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2Cl2-FeSe-NM']_int-Int_In_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Br2-FeSe-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBrI-BiTeI-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Cl2N2-FeOCl-NM']_int-Int_Cl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Se6-VTe3-NM']_int-Int_Se_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Cl2-CH-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrTe2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CoS2-CdI2-NM']_int-Int_Co_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2I4-WTe2-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtCl2-GeS2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2I2Se2-FeOCl-NM']_ext-Int_H_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrAs2-CdI2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pb2O2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['YI2-CdI2-NM']_int-Int_Y_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2I2S2-FeOCl-NM']_int-Int_S_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaTe2-GeS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2I2O2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Te6-VTe3-NM']_int-Int_Os_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2Cl2-CH-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Se4-PdS2-NM']_int-Int_Se_Voronoi4_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuCl2-CdI2-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Br2S2-FeOCl-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2I2-CH-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiCl2-CdI2-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2Se4-WTe2-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2S2-RhO-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2P2Te6-MnPSe3-NM']_int-Int_P_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2I4-WTe2-NM']_ext-Int_Li_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CoS2-GeS2-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Ti2S8-CrWS4-NM']_int-Int_Hf_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2Br2O2-FeOCl-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnBr2-CdI2-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2F2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Te4-PdS2-NM']_int-Int_Te_Voronoi2_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Te4-CdI2-NM']_int-Int_Ir_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiI2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2P2S6-MnPSe3-NM']_ext-Int_H_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ScS2-CdI2-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Se2-GaS-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BrSbTe-MoSSe-NM']_int-Int_Br_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Se2-NiSe-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2P2Te6-MnPSe3-NM']_ext-Int_H_Voronoi2_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Cl2N2-FeOCl-NM']_int-Int_Ir_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ScTe2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuSe2-CdI2-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Cl2N2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbSTe-BiTeI-NM']_int-Int_Te_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2S2-CH-NM']_int-Int_Bi_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2I2S2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Se2-CH-NM']_int-Int_Mo_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoW3Se8-CrW3S8-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaSe2-CdI2-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2P2Se6-MnPSe3-NM']_ext-Int_H_Voronoi1_mult3-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2P2Se6-MnPSe3-NM']_int-Int_Se_Voronoi1_mult3-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Co2P2S6-MnPSe3-NM']_ext-Int_Li_Voronoi5_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgTe2-GeS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Te4-MnS2-NM']_ext-Int_H_Voronoi1_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Se2-GaS-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AgBr2-CdI2-NM']_int-Int_Ag_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2P2S6-MnPSe3-NM']_ext-Int_Li_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ge2-C-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Br4-WTe2-NM']_int-Int_Ta_Voronoi3_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2I2Se2-FeOCl-NM']_int-Int_Se_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3MoSe8-CrW3S8-NM']_int-Int_Cr_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2Cl2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Br2Se2-FeOCl-NM']_int-Int_Ti_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se2-GaS-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Cl2S2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaBr2-MoS2-NM']_int-Int_Ga_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2F2N-Ti2CO2-NM']_int-Int_N_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Br2-CH-NM']_int-Int_Br_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2O2-RhO-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2Te2-GaS-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['KS2-GeS2-NM']_int-Int_S_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2O2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2Br2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaBrI-MoSSe-NM']_int-Int_I_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['IrTe2-GeS2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CaSe2-GeS2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiS2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrBr2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cl2Sb-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiS2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Te2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2S2-CH-NM']_ext-Int_Li_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtS2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WS2-GeS2-NM']_int-Int_W_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['C6Sb2-C3N-NM']_int-Int_Sb_Voronoi1_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2H2NO2-Ti2CH2O2-NM']_int-Int_Ti_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['OsBr2-GeS2-NM']_int-Int_Br_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2S2-PbSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiClSe-BiTeI-NM']_int-Int_Cl_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Zr2Se8-CrWS4-NM']_int-Int_Se_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Cl2Se2-FeOCl-NM']_int-Int_Bi_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2F2-FeSe-NM']_int-Int_Ti_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Cl2O2-FeOCl-NM']_int-Int_O_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['InI2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrI2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrI2-CdI2-NM']_int-Int_Sr_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrI2-GeS2-NM']_int-Int_I_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2P2Se6-ScPSe3-NM']_int-Int_Sc_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsClS-BiTeI-NM']_int-Int_S_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2P2Te6-MnPSe3-NM']_int-Int_Te_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['YCl2-GeS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Cl2O2-FeOCl-NM']_int-Int_O_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2P2Se6-MnPSe3-NM']_int-Int_Ru_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2O6-Undefined-NM']_int-Int_Ir_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['V2Te2-GaS-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Te2-FeSe-NM']_int-Int_Mo_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['InTe2-GeS2-NM']_int-Int_In_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrBr2-GeS2-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfAsSb-MoSSe-NM']_int-Int_As_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Cl2N2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTaAs-BiTeI-NM']_int-Int_Ta_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf3ZrS8-CrW3S8-NM']_int-Int_S_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Br2S2-FeOCl-NM']_int-Int_Br_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2Cl2N2-FeOCl-NM']_int-Int_Cl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgSe-GeSe-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Si2Te2-SnS-NM']_ext-Int_H_Voronoi1_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2I4-WTe2-NM']_int-Int_Mo_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2Te2-PbSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ba2Br2-FeSe-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfAs2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Cl2Se2-FeOCl-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeTe2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Br2N2-FeOCl-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2P2S6-MnPSe3-NM']_int-Int_P_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Se2-CH-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Cl2S2-FeOCl-NM']_int-Int_Cl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Co2Se4-CdI2-NM']_int-Int_Co_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zn2P2Te6-MnPSe3-NM']_int-Int_Te_Voronoi2_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Co2Cl2Se2-FeOCl-NM']_ext-Int_H_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TlCl2-CdI2-NM']_int-Int_Tl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3MoS8-CrW3S8-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2I2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiI2-CdI2-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['S2Sb-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Br2S2-FeOCl-NM']_ext-Int_Li_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cl2Ge2N2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuSe2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2I2-CH-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2O2-GaS-NM']_int-Int_Ti_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuTe2-MoS2-NM']_int-Int_Te_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnSe2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CaF2-GeS2-NM']_int-Int_Ca_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Cl2S2-FeOCl-NM']_int-Int_Pt_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2I4-WTe2-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiZr3Se8-CrW3S8-NM']_int-Int_Ti_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2I2S2-FeOCl-NM']_int-Int_Sn_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Te2-AuSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Se2-GaSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2I2S2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiSe2-CdI2-NM']_int-Int_Ti_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsBrTe-MoSSe-NM']_int-Int_As_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AgI2-MoS2-NM']_int-Int_Ag_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfCl2-CdI2-NM']_int-Int_Hf_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sb2Se2-PbSe-NM']_int-Int_Sb_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['InI2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrBr2-CdI2-NM']_int-Int_Zr_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['IrBr2-CdI2-NM']_int-Int_Ir_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2F2-FeSe-NM']_int-Int_F_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cu2Se2-AuSe-NM']_int-Int_Se_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuI2-GeS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbS2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TlBr2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrTe2-CdI2-NM']_int-Int_Zr_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RuS2-MoS2-NM']_int-Int_Ru_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BaTe2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdCl2-CdI2-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Fe2Te2-GaSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2I2N2-FeOCl-NM']_int-Int_Sc_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2Te2-CH-NM']_int-Int_Re_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RuH2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2Se2-FeSe-NM']_int-Int_Re_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Cl2O2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Se2Si2-SnS-NM']_int-Int_Se_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['InP-GeSe-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SbSe2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pb2Br2Se2-FeOCl-NM']_int-Int_Br_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CsO2-GeS2-NM']_ext-Int_H_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiBrS-MoSSe-NM']_int-Int_Br_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiClSe-BiTeI-NM']_int-Int_Bi_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Ti2Te8-CrWS4-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NiTe2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Ti2Te8-CrWS4-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2Se2-GaSe-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2I2-FeSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2S4-WTe2-NM']_int-Int_Re_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Te2-PbSe-NM']_int-Int_Te_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReTe2-GeS2-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Br2-FeSe-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrClI-MoSSe-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cu2Te4-WTe2-NM']_int-Int_Cu_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WSTe-MoSSe-NM']_int-Int_W_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BrSbTe-MoSSe-NM']_int-Int_Br_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrSeTe-MoSSe-NM']_int-Int_Se_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiS2-GeS2-NM']_int-Int_Bi_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['S2Si2-PbSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiZrSb-MoSSe-NM']_int-Int_Zr_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['V2Br2-CH-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Cl2O2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PdSe2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Cl2S2-FeOCl-NM']_int-Int_S_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiBrSe-MoSSe-NM']_int-Int_Br_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RuBr2-GeS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbF2-GeS2-NM']_int-Int_Pb_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2S6-TiS3-NM']_int-Int_S_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3MoS8-CrW3S8-NM']_int-Int_S_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sr2Br2-FeSe-NM']_int-Int_Sr_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdCl2-GeS2-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2S2-GaS-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Cl2-FeSe-NM']_ext-Int_Li_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CrMo3S8-CrW3S8-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Cl2S2-FeOCl-NM']_int-Int_Cl_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuTe2-GeS2-NM']_int-Int_Au_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2CO2-Ti2CO2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ScTe2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zn2Se2-PbSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTe2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbF2-GeS2-NM']_int-Int_F_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Zr2Se8-CrWS4-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2S6-Undefined-NM']_int-Int_Ir_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['As2-C-NM']_int-Int_As_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoAs2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2O2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2C-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Te2-GaSe-NM']_int-Int_Te_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgSe2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Br2-FeSe-NM']_int-Int_Ga_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2CO2-Ti2CO2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Ti2S8-CrWS4-NM']_ext-Int_Li_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MgBr2-CdI2-NM']_int-Int_Mg_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrCl2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2S2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['P2Sb2Te6-ScPSe3-NM']_int-Int_P_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2P2Te6-Undefined-NM']_int-Int_Ga_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Se4-WTe2-NM']_ext-Int_H_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBrI-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Se2-CH-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2S2-FeSe-NM']_int-Int_S_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WTe2-CdI2-NM']_int-Int_W_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf4I4O4-HfBrS-NM']_int-Int_Hf_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdS2-GeS2-NM']_int-Int_Cd_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnSe2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoClI-BiTeI-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2S2-CH-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2P2Se6-MnPSe3-NM']_int-Int_Os_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Se2-GaS-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2I2S2-FeOCl-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Br2Se2-FeOCl-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Br2N2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2Cl2-CH-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se2-GaSe-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbSe2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Cl2Se2-FeOCl-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Br6-BiI3-NM']_ext-Int_H_Voronoi2_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2CF2-Ti2CO2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BrSbTe-BiTeI-NM']_int-Int_Sb_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2P2Se6-MnPSe3-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf4Cl4O4-HfBrS-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2S2-GaS-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2P2Te6-MnPSe3-NM']_int-Int_Cd_Voronoi1_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeTe2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Br2O2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZnI2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrF2-GeS2-NM']_int-Int_Sr_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2I2Se2-FeOCl-NM']_int-Int_Se_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ISbSe-MoSSe-NM']_int-Int_Sb_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2I2-CH-NM']_int-Int_Zr_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2Se2-GaS-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se2-CH-NM']_int-Int_Pt_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CaI2-GeS2-NM']_ext-Int_H_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2Se4-WTe2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiBr2-CdI2-NM']_int-Int_Bi_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2Se2-GaS-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeO2-GeS2-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiZr3Se8-CrW3S8-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Cl2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbCl2-GeS2-NM']_int-Int_Cl_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Br2S2-FeOCl-NM']_int-Int_Ta_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2Te2-CH-NM']_int-Int_Cd_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2Se2-SnS-NM']_int-Int_Se_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgTe2-GeS2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnO-GeSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgTe2-CdI2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2I2O2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RhSe2-MoS2-NM']_int-Int_Rh_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WSTe-MoSSe-NM']_int-Int_S_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeI2-GeS2-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr2Mo2S8-CrWS4-NM']_int-Int_Cr_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Te4-WTe2-NM']_int-Int_Os_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2O2-FeSe-NM']_int-Int_O_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2P2Se6-MnPSe3-NM']_ext-Int_Li_Voronoi2_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaBrI-BiTeI-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsCl2-CdI2-NM']_int-Int_As_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrBr2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgF2-GeS2-NM']_int-Int_Hg_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PdSe2-CdI2-NM']_int-Int_Se_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Se4-WTe2-NM']_ext-Int_H_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WI2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtCl2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2I2-FeSe-NM']_int-Int_I_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3MoSe8-CrW3S8-NM']_ext-Int_Li_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoSb2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CrMo3S8-CrW3S8-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnI2-GeS2-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoW3Se8-CrW3S8-NM']_ext-Int_Li_Voronoi6_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Y2Cl4-CdI2-NM']_int-Int_Y_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2Cl2S2-FeOCl-NM']_ext-Int_Li_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2I4-WTe2-NM']_ext-Int_H_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CaBr2-GeS2-NM']_ext-Int_H_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2P2Se6-MnPSe3-NM']_ext-Int_H_Voronoi1_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se6-VTe3-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2P2S6-MnPSe3-NM']_int-Int_S_Voronoi1_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ISbSe-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2O2-GaS-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se2-FeSe-NM']_int-Int_Se_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2Cl2-CH-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2Cl6-Undefined-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Te6-VTe3-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReO2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2I2Se2-FeOCl-NM']_ext-Int_Li_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['IrSe2-CdI2-NM']_int-Int_Ir_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2Cl2-FeSe-NM']_int-Int_Sn_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Ti2Se8-CrWS4-NM']_int-Int_Se_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WSeTe-BiTeI-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaAsSb-BiTeI-NM']_int-Int_As_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSSe-MoSSe-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2S2-FeSe-NM']_int-Int_Zr_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2I2O2-FeOCl-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['S2Sb2-CH-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2CF2-Ti2CO2-NM']_int-Int_C_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PdBr2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2O4-WTe2-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['YBr2-CdI2-NM']_int-Int_Y_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrClI-BiTeI-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbAsSb-BiTeI-NM']_int-Int_Sb_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbBrI-BiTeI-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Se2-CH-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoSeTe-BiTeI-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiSTe-MoSSe-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiIS-BiTeI-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SbTe2-MoS2-NM']_int-Int_Te_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2Se2-GaS-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaI2-GeS2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Br2Se2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Br2O2-FeOCl-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['IrI2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsITe-BiTeI-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2O2-AuSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnF2-GeS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2Cl6-BiI3-NM']_int-Int_Cl_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['V2Se2-GaS-NM']_int-Int_Se_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hg2Cl2-CH-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Si2-C-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtI2-CdI2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiTe2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuSe2-MoS2-NM']_int-Int_Se_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiBrS-BiTeI-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiIS-MoSSe-NM']_int-Int_I_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2I2O2-FeOCl-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaS2-MoS2-NM']_int-Int_Ta_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TlF2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['IrCl2-MoS2-NM']_int-Int_Cl_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Br2S2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgS2-GeS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2I2Se2-FeOCl-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2I2Se2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZnI2-MoS2-NM']_int-Int_I_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsS2-MoS2-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Br2Se2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Cl6-BiI3-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RbS2-GeS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgBr2-GeS2-NM']_int-Int_Hg_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WSTe-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Se2-CH-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfO2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Ti2S8-CrWS4-NM']_ext-Int_H_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2Se2-FeSe-NM']_int-Int_W_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtI2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MgI2-CdI2-NM']_int-Int_Mg_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2Te4-PdS2-NM']_ext-Int_Li_Voronoi5_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Cl2S2-FeOCl-NM']_int-Int_S_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2S2-CH-NM']_int-Int_Ir_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2S2-GaS-NM']_int-Int_S_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RhSe2-CdI2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiSTe-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ScSe2-CdI2-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaBr2-GeS2-NM']_int-Int_Br_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2S4-WTe2-NM']_int-Int_S_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbSeTe-MoSSe-NM']_int-Int_Te_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbSSe-BiTeI-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['In2Se2-PbSe-NM']_int-Int_In_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Cl2O2-FeOCl-NM']_ext-Int_Li_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2S2-GaS-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2S2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr2W2S8-CrWS4-NM']_int-Int_S_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnBr2-GeS2-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2Te4-WTe2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CrMo3Se8-CrW3S8-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Cl2O2-FeOCl-NM']_int-Int_Ag_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbSeTe-BiTeI-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrSeTe-BiTeI-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSe2-GeS2-NM']_int-Int_Se_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2Te4-PdS2-NM']_ext-Int_H_Voronoi1_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReSe2-GeS2-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2I2-FeSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ni2S2-GaS-NM']_int-Int_S_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiCl2-CdI2-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2S2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['VAsSb-BiTeI-NM']_int-Int_As_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2P2S6-MnPSe3-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2Br4-WTe2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbH2-MoS2-NM']_int-Int_Nb_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2CF2-Ti2CO2-NM']_int-Int_C_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BaI2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc3F2N2-Ti3C2O2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Br2O2-FeOCl-NM']_int-Int_Tl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2Cl2-FeSe-NM']_ext-Int_H_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Cl2O2-FeOCl-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2O2-FeSe-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr2Mo2S8-CrWS4-NM']_ext-Int_H_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti3C2F2-Ti3C2O2-NM']_int-Int_Ti_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WCl2-GeS2-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2I2S2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2Br2Se2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBrCl-MoSSe-NM']_int-Int_Cl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTaAs-BiTeI-NM']_int-Int_As_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2P2Se6-MnPSe3-NM']_int-Int_P_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2I2S2-FeOCl-NM']_int-Int_S_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
Epoch: [0][10/12] Time 26.401 (25.450) Data 26.281 (25.327) Loss 0.9028 (0.8838) Accu 0.434 (0.472) Precision 0.434 (0.518) Recall 0.964 (0.536) F1 0.598 (0.426) AUC 0.481 (0.502)
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaBr2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgI2-GeS2-NM']_int-Int_Hg_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Br2Sb2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2S2-CH-NM']_int-Int_S_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTe2-MoS2-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Te4-PdS2-NM']_ext-Int_Li_Voronoi1_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr3WSe8-CrW3S8-NM']_int-Int_Se_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Se2-GaSe-NM']_int-Int_Ir_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2S2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['I2Sb-MoS2-NM']_int-Int_Sb_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiBrCl-BiTeI-NM']_int-Int_Ti_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2Se2-FeSe-NM']_int-Int_Se_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2CH2O2-Ti2CH2O2-NM']_int-Int_Ta_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr2Mo2S8-CrWS4-NM']_int-Int_Cr_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CoSe2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Au2Cl2-FeSe-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2Se2-GaSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RhI2-GeS2-NM']_int-Int_I_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['V2Se2-GaS-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cu2Cl2-CH-NM']_int-Int_Cu_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2Se4-WTe2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CuI2-GeS2-NM']_int-Int_I_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MoW3Se8-CrW3S8-NM']_int-Int_Mo_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CaBr2-GeS2-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2Br2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReS2-GeS2-NM']_int-Int_Re_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2Br2N2-FeOCl-NM']_int-Int_N_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfTi3Te8-CrW3S8-NM']_ext-Int_H_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReTe2-CdI2-NM']_int-Int_Re_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Te2-FeSe-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2W2Se8-CrWS4-NM']_int-Int_Mo_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgTe2-GeS2-NM']_int-Int_Hg_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaS2-GeS2-NM']_int-Int_Ta_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTiAs-BiTeI-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RhTe2-MoS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2S2-FeSe-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiTaAs-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2S2-CH-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtTe2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdBr2-GeS2-NM']_ext-Int_H_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaSeTe-MoSSe-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CuSe2-MoS2-NM']_int-Int_Cu_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Se2-GaSe-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GeTe2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TlBr2-CdI2-NM']_int-Int_Tl_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Zr2Se8-CrWS4-NM']_ext-Int_Li_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CrW3Se8-CrW3S8-NM']_int-Int_Se_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdCl2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfBrI-BiTeI-NM']_int-Int_Br_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TaBrCl-BiTeI-NM']_int-Int_Br_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaSe2-GeS2-NM']_int-Int_Se_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2S2-GaS-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cu2F2-FeSe-NM']_int-Int_F_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbS2-CdI2-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbAsSb-MoSSe-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['W2S6-TiS3-NM']_int-Int_S_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['RuS2-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2Cl2S2-FeOCl-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgI2-CdI2-NM']_int-Int_Hg_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/sklearn/metrics/_classification.py:1327: UndefinedMetricWarning: Precision and F-score are ill-defined and being set to 0.0 due to no predicted samples. Use `zero_division` parameter to control this behavior.
_warn_prf(average, modifier, msg_start, len(result))
Test: [0/2] Time 24.945 (24.945) Loss 0.7527 (0.7527) Accu 0.504 (0.504) Precision 0.000 (0.000) Recall 0.000 (0.000) F1 0.000 (0.000) AUC 0.510 (0.510)
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SrBr2-MoS2-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdCl2-CdI2-NM']_int-Int_Cd_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['SnO2-GeS2-NM']_ext-Int_Li_Voronoi5_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BrSbTe-BiTeI-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsITe-MoSSe-NM']_int-Int_I_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbI2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr2Mo2Se8-CrWS4-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CoSe2-CdI2-NM']_int-Int_Co_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZnTe2-GeS2-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Br2Ge2O2-FeOCl-NM']_int-Int_Ge_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf3TiS8-CrW3S8-NM']_ext-Int_H_Voronoi6_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2Cl4-CdI2-NM']_int-Int_Sc_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2I2S2-FeOCl-NM']_int-Int_Sn_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Tl2Cl2-CH-NM']_int-Int_Cl_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AuTe2-GeS2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgO2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/sklearn/metrics/_classification.py:1327: UndefinedMetricWarning: Precision and F-score are ill-defined and being set to 0.0 due to no predicted samples. Use `zero_division` parameter to control this behavior.
_warn_prf(average, modifier, msg_start, len(result))
* AUC 0.482
Epoch: [1][0/12] Time 0.195 (0.195) Data 0.090 (0.090) Loss 0.7610 (0.7610) Accu 0.496 (0.496) Precision 0.565 (0.565) Recall 0.098 (0.098) F1 0.168 (0.168) AUC 0.529 (0.529)
Epoch: [1][10/12] Time 0.190 (0.194) Data 0.092 (0.093) Loss 0.7401 (0.7669) Accu 0.516 (0.494) Precision 0.800 (0.506) Recall 0.062 (0.363) F1 0.114 (0.312) AUC 0.569 (0.504)
Test: [0/2] Time 0.105 (0.105) Loss 0.7008 (0.7008) Accu 0.496 (0.496) Precision 0.496 (0.496) Recall 1.000 (1.000) F1 0.663 (0.663) AUC 0.508 (0.508)
* AUC 0.517
Epoch: [2][0/12] Time 0.168 (0.168) Data 0.064 (0.064) Loss 0.6941 (0.6941) Accu 0.559 (0.559) Precision 0.567 (0.567) Recall 0.791 (0.791) F1 0.661 (0.661) AUC 0.557 (0.557)
Epoch: [2][10/12] Time 0.163 (0.166) Data 0.063 (0.066) Loss 0.7042 (0.7306) Accu 0.480 (0.507) Precision 0.456 (0.507) Recall 0.759 (0.514) F1 0.570 (0.403) AUC 0.532 (0.521)
Test: [0/2] Time 0.113 (0.113) Loss 0.7282 (0.7282) Accu 0.520 (0.520) Precision 0.520 (0.520) Recall 1.000 (1.000) F1 0.684 (0.684) AUC 0.433 (0.433)
* AUC 0.471
Epoch: [3][0/12] Time 0.154 (0.154) Data 0.058 (0.058) Loss 0.7383 (0.7383) Accu 0.516 (0.516) Precision 0.516 (0.516) Recall 0.985 (0.985) F1 0.677 (0.677) AUC 0.508 (0.508)
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/sklearn/metrics/_classification.py:1327: UndefinedMetricWarning: Precision and F-score are ill-defined and being set to 0.0 due to no predicted samples. Use `zero_division` parameter to control this behavior.
_warn_prf(average, modifier, msg_start, len(result))
Epoch: [3][10/12] Time 0.160 (0.161) Data 0.061 (0.061) Loss 0.6974 (0.7303) Accu 0.508 (0.504) Precision 0.509 (0.383) Recall 0.869 (0.469) F1 0.642 (0.367) AUC 0.561 (0.506)
Test: [0/2] Time 0.099 (0.099) Loss 0.7512 (0.7512) Accu 0.508 (0.508) Precision 0.508 (0.508) Recall 1.000 (1.000) F1 0.674 (0.674) AUC 0.524 (0.524)
* AUC 0.516
Epoch: [4][0/12] Time 0.161 (0.161) Data 0.059 (0.059) Loss 0.7911 (0.7911) Accu 0.480 (0.480) Precision 0.482 (0.482) Recall 0.992 (0.992) F1 0.649 (0.649) AUC 0.460 (0.460)
Epoch: [4][10/12] Time 0.168 (0.164) Data 0.068 (0.064) Loss 0.7071 (0.7164) Accu 0.520 (0.515) Precision 0.619 (0.551) Recall 0.195 (0.435) F1 0.297 (0.353) AUC 0.512 (0.522)
Test: [0/2] Time 0.104 (0.104) Loss 0.6891 (0.6891) Accu 0.535 (0.535) Precision 0.535 (0.535) Recall 0.993 (0.993) F1 0.696 (0.696) AUC 0.576 (0.576)
* AUC 0.540
Epoch: [5][0/12] Time 0.163 (0.163) Data 0.061 (0.061) Loss 0.7035 (0.7035) Accu 0.500 (0.500) Precision 0.486 (0.486) Recall 0.885 (0.885) F1 0.628 (0.628) AUC 0.532 (0.532)
Epoch: [5][10/12] Time 0.163 (0.163) Data 0.062 (0.063) Loss 0.6943 (0.7042) Accu 0.523 (0.518) Precision 0.500 (0.544) Recall 0.148 (0.590) F1 0.228 (0.479) AUC 0.535 (0.535)
Test: [0/2] Time 0.104 (0.104) Loss 0.6915 (0.6915) Accu 0.551 (0.551) Precision 0.621 (0.621) Recall 0.313 (0.313) F1 0.416 (0.416) AUC 0.560 (0.560)
* AUC 0.549
Epoch: [6][0/12] Time 0.158 (0.158) Data 0.059 (0.059) Loss 0.6952 (0.6952) Accu 0.539 (0.539) Precision 0.548 (0.548) Recall 0.402 (0.402) F1 0.464 (0.464) AUC 0.527 (0.527)
Epoch: [6][10/12] Time 0.185 (0.171) Data 0.083 (0.070) Loss 0.6967 (0.6931) Accu 0.512 (0.527) Precision 0.523 (0.528) Recall 0.431 (0.579) F1 0.473 (0.542) AUC 0.520 (0.541)
Test: [0/2] Time 0.144 (0.144) Loss 0.6953 (0.6953) Accu 0.531 (0.531) Precision 0.571 (0.571) Recall 0.364 (0.364) F1 0.444 (0.444) AUC 0.543 (0.543)
* AUC 0.523
Epoch: [7][0/12] Time 0.173 (0.173) Data 0.072 (0.072) Loss 0.7069 (0.7069) Accu 0.523 (0.523) Precision 0.471 (0.471) Recall 0.422 (0.422) F1 0.445 (0.445) AUC 0.478 (0.478)
Epoch: [7][10/12] Time 0.171 (0.170) Data 0.071 (0.071) Loss 0.7271 (0.6957) Accu 0.477 (0.521) Precision 0.445 (0.529) Recall 0.936 (0.486) F1 0.604 (0.467) AUC 0.560 (0.550)
Test: [0/2] Time 0.104 (0.104) Loss 0.6965 (0.6965) Accu 0.492 (0.492) Precision 0.502 (0.502) Recall 0.870 (0.870) F1 0.637 (0.637) AUC 0.533 (0.533)
* AUC 0.528
Epoch: [8][0/12] Time 0.157 (0.157) Data 0.058 (0.058) Loss 0.6922 (0.6922) Accu 0.543 (0.543) Precision 0.526 (0.526) Recall 0.803 (0.803) F1 0.636 (0.636) AUC 0.562 (0.562)
Epoch: [8][10/12] Time 0.161 (0.163) Data 0.063 (0.063) Loss 0.7141 (0.6988) Accu 0.480 (0.510) Precision 0.441 (0.515) Recall 0.817 (0.456) F1 0.572 (0.445) AUC 0.546 (0.532)
Test: [0/2] Time 0.105 (0.105) Loss 0.6918 (0.6918) Accu 0.504 (0.504) Precision 0.519 (0.519) Recall 0.815 (0.815) F1 0.634 (0.634) AUC 0.555 (0.555)
* AUC 0.527
Epoch: [9][0/12] Time 0.159 (0.159) Data 0.059 (0.059) Loss 0.6881 (0.6881) Accu 0.535 (0.535) Precision 0.530 (0.530) Recall 0.738 (0.738) F1 0.617 (0.617) AUC 0.557 (0.557)
Epoch: [9][10/12] Time 0.168 (0.164) Data 0.065 (0.064) Loss 0.7056 (0.6920) Accu 0.457 (0.518) Precision 0.496 (0.521) Recall 0.442 (0.458) F1 0.467 (0.479) AUC 0.482 (0.542)
Test: [0/2] Time 0.101 (0.101) Loss 0.6999 (0.6999) Accu 0.500 (0.500) Precision 0.520 (0.520) Recall 0.481 (0.481) F1 0.500 (0.500) AUC 0.497 (0.497)
* AUC 0.527
Epoch: [10][0/12] Time 0.159 (0.159) Data 0.061 (0.061) Loss 0.6885 (0.6885) Accu 0.543 (0.543) Precision 0.611 (0.611) Recall 0.468 (0.468) F1 0.530 (0.530) AUC 0.565 (0.565)
Epoch: [10][10/12] Time 0.163 (0.162) Data 0.063 (0.062) Loss 0.6930 (0.6892) Accu 0.539 (0.537) Precision 0.521 (0.538) Recall 0.589 (0.505) F1 0.553 (0.519) AUC 0.552 (0.554)
Test: [0/2] Time 0.101 (0.101) Loss 0.6962 (0.6962) Accu 0.543 (0.543) Precision 0.553 (0.553) Recall 0.557 (0.557) F1 0.555 (0.555) AUC 0.537 (0.537)
* AUC 0.528
Epoch: [11][0/12] Time 0.160 (0.160) Data 0.060 (0.060) Loss 0.6797 (0.6797) Accu 0.551 (0.551) Precision 0.530 (0.530) Recall 0.569 (0.569) F1 0.549 (0.549) AUC 0.587 (0.587)
Epoch: [11][10/12] Time 0.162 (0.162) Data 0.062 (0.062) Loss 0.6978 (0.6864) Accu 0.535 (0.549) Precision 0.565 (0.546) Recall 0.569 (0.577) F1 0.567 (0.557) AUC 0.532 (0.572)
Test: [0/2] Time 0.103 (0.103) Loss 0.6996 (0.6996) Accu 0.508 (0.508) Precision 0.533 (0.533) Recall 0.485 (0.485) F1 0.508 (0.508) AUC 0.512 (0.512)
* AUC 0.521
Epoch: [12][0/12] Time 0.164 (0.164) Data 0.063 (0.063) Loss 0.6687 (0.6687) Accu 0.582 (0.582) Precision 0.567 (0.567) Recall 0.581 (0.581) F1 0.574 (0.574) AUC 0.629 (0.629)
Epoch: [12][10/12] Time 0.174 (0.172) Data 0.077 (0.071) Loss 0.6755 (0.6871) Accu 0.598 (0.540) Precision 0.567 (0.542) Recall 0.770 (0.515) F1 0.653 (0.523) AUC 0.622 (0.563)
Test: [0/2] Time 0.130 (0.130) Loss 0.7099 (0.7099) Accu 0.484 (0.484) Precision 0.506 (0.506) Recall 0.642 (0.642) F1 0.566 (0.566) AUC 0.469 (0.469)
* AUC 0.505
Epoch: [13][0/12] Time 0.254 (0.254) Data 0.148 (0.148) Loss 0.6925 (0.6925) Accu 0.508 (0.508) Precision 0.515 (0.515) Recall 0.664 (0.664) F1 0.580 (0.580) AUC 0.527 (0.527)
Epoch: [13][10/12] Time 0.158 (0.182) Data 0.072 (0.081) Loss 0.6841 (0.6854) Accu 0.562 (0.542) Precision 0.562 (0.544) Recall 0.535 (0.531) F1 0.548 (0.530) AUC 0.586 (0.570)
Test: [0/2] Time 0.104 (0.104) Loss 0.7017 (0.7017) Accu 0.535 (0.535) Precision 0.547 (0.547) Recall 0.609 (0.609) F1 0.577 (0.577) AUC 0.516 (0.516)
* AUC 0.502
Epoch: [14][0/12] Time 0.149 (0.149) Data 0.062 (0.062) Loss 0.6836 (0.6836) Accu 0.543 (0.543) Precision 0.562 (0.562) Recall 0.600 (0.600) F1 0.581 (0.581) AUC 0.571 (0.571)
Epoch: [14][10/12] Time 0.143 (0.146) Data 0.058 (0.059) Loss 0.6794 (0.6875) Accu 0.574 (0.551) Precision 0.558 (0.548) Recall 0.403 (0.613) F1 0.468 (0.569) AUC 0.591 (0.566)
Test: [0/2] Time 0.101 (0.101) Loss 0.7150 (0.7150) Accu 0.480 (0.480) Precision 0.491 (0.491) Recall 0.212 (0.212) F1 0.296 (0.296) AUC 0.493 (0.493)
* AUC 0.501
Epoch: [15][0/12] Time 0.144 (0.144) Data 0.059 (0.059) Loss 0.6722 (0.6722) Accu 0.582 (0.582) Precision 0.540 (0.540) Recall 0.412 (0.412) F1 0.468 (0.468) AUC 0.597 (0.597)
Epoch: [15][10/12] Time 0.144 (0.145) Data 0.058 (0.059) Loss 0.6980 (0.6851) Accu 0.508 (0.548) Precision 0.483 (0.546) Recall 0.708 (0.613) F1 0.574 (0.563) AUC 0.557 (0.576)
Test: [0/2] Time 0.102 (0.102) Loss 0.7113 (0.7113) Accu 0.531 (0.531) Precision 0.523 (0.523) Recall 0.532 (0.532) F1 0.528 (0.528) AUC 0.502 (0.502)
* AUC 0.500
Epoch: [16][0/12] Time 0.149 (0.149) Data 0.063 (0.063) Loss 0.6738 (0.6738) Accu 0.590 (0.590) Precision 0.538 (0.538) Recall 0.617 (0.617) F1 0.575 (0.575) AUC 0.601 (0.601)
Epoch: [16][10/12] Time 0.170 (0.167) Data 0.085 (0.080) Loss 0.6771 (0.6812) Accu 0.566 (0.557) Precision 0.584 (0.564) Recall 0.657 (0.480) F1 0.619 (0.514) AUC 0.592 (0.583)
Test: [0/2] Time 0.124 (0.124) Loss 0.7045 (0.7045) Accu 0.516 (0.516) Precision 0.514 (0.514) Recall 0.838 (0.838) F1 0.637 (0.637) AUC 0.531 (0.531)
* AUC 0.505
Epoch: [17][0/12] Time 0.152 (0.152) Data 0.068 (0.068) Loss 0.6838 (0.6838) Accu 0.543 (0.543) Precision 0.534 (0.534) Recall 0.840 (0.840) F1 0.653 (0.653) AUC 0.563 (0.563)
Epoch: [17][10/12] Time 0.155 (0.154) Data 0.069 (0.067) Loss 0.6767 (0.6819) Accu 0.586 (0.558) Precision 0.592 (0.556) Recall 0.252 (0.628) F1 0.354 (0.560) AUC 0.593 (0.595)
Test: [0/2] Time 0.108 (0.108) Loss 0.7270 (0.7270) Accu 0.461 (0.461) Precision 0.480 (0.480) Recall 0.176 (0.176) F1 0.258 (0.258) AUC 0.476 (0.476)
* AUC 0.503
Epoch: [18][0/12] Time 0.148 (0.148) Data 0.063 (0.063) Loss 0.6982 (0.6982) Accu 0.551 (0.551) Precision 0.588 (0.588) Recall 0.315 (0.315) F1 0.410 (0.410) AUC 0.549 (0.549)
Epoch: [18][10/12] Time 0.144 (0.148) Data 0.059 (0.062) Loss 0.6789 (0.6821) Accu 0.570 (0.561) Precision 0.565 (0.563) Recall 0.669 (0.579) F1 0.613 (0.560) AUC 0.583 (0.581)
Test: [0/2] Time 0.104 (0.104) Loss 0.7059 (0.7059) Accu 0.504 (0.504) Precision 0.516 (0.516) Recall 0.504 (0.504) F1 0.510 (0.510) AUC 0.505 (0.505)
* AUC 0.482
Epoch: [19][0/12] Time 0.151 (0.151) Data 0.064 (0.064) Loss 0.6854 (0.6854) Accu 0.527 (0.527) Precision 0.508 (0.508) Recall 0.545 (0.545) F1 0.525 (0.525) AUC 0.556 (0.556)
Epoch: [19][10/12] Time 0.189 (0.171) Data 0.097 (0.082) Loss 0.6925 (0.6817) Accu 0.539 (0.557) Precision 0.533 (0.562) Recall 0.633 (0.522) F1 0.579 (0.533) AUC 0.555 (0.586)
Test: [0/2] Time 0.134 (0.134) Loss 0.7077 (0.7077) Accu 0.484 (0.484) Precision 0.475 (0.475) Recall 0.613 (0.613) F1 0.535 (0.535) AUC 0.499 (0.499)
* AUC 0.490
Epoch: [20][0/12] Time 0.162 (0.162) Data 0.070 (0.070) Loss 0.6694 (0.6694) Accu 0.590 (0.590) Precision 0.556 (0.556) Recall 0.625 (0.625) F1 0.588 (0.588) AUC 0.628 (0.628)
Epoch: [20][10/12] Time 0.163 (0.160) Data 0.078 (0.071) Loss 0.6661 (0.6737) Accu 0.602 (0.583) Precision 0.596 (0.580) Recall 0.669 (0.613) F1 0.630 (0.593) AUC 0.625 (0.613)
Test: [0/2] Time 0.102 (0.102) Loss 0.7122 (0.7122) Accu 0.504 (0.504) Precision 0.493 (0.493) Recall 0.560 (0.560) F1 0.524 (0.524) AUC 0.497 (0.497)
* AUC 0.493
Epoch: [21][0/12] Time 0.152 (0.152) Data 0.064 (0.064) Loss 0.6824 (0.6824) Accu 0.570 (0.570) Precision 0.556 (0.556) Recall 0.592 (0.592) F1 0.574 (0.574) AUC 0.586 (0.586)
Epoch: [21][10/12] Time 0.148 (0.147) Data 0.059 (0.060) Loss 0.6742 (0.6769) Accu 0.578 (0.565) Precision 0.529 (0.566) Recall 0.629 (0.556) F1 0.575 (0.560) AUC 0.617 (0.597)
Test: [0/2] Time 0.097 (0.097) Loss 0.7148 (0.7148) Accu 0.520 (0.520) Precision 0.500 (0.500) Recall 0.553 (0.553) F1 0.525 (0.525) AUC 0.492 (0.492)
* AUC 0.494
Epoch: [22][0/12] Time 0.152 (0.152) Data 0.060 (0.060) Loss 0.6772 (0.6772) Accu 0.543 (0.543) Precision 0.567 (0.567) Recall 0.563 (0.563) F1 0.565 (0.565) AUC 0.593 (0.593)
Epoch: [22][10/12] Time 0.177 (0.158) Data 0.082 (0.069) Loss 0.6838 (0.6785) Accu 0.574 (0.560) Precision 0.551 (0.568) Recall 0.696 (0.508) F1 0.615 (0.526) AUC 0.568 (0.596)
Test: [0/2] Time 0.113 (0.113) Loss 0.7157 (0.7157) Accu 0.504 (0.504) Precision 0.503 (0.503) Recall 0.633 (0.633) F1 0.561 (0.561) AUC 0.497 (0.497)
* AUC 0.497
Epoch: [23][0/12] Time 0.158 (0.158) Data 0.067 (0.067) Loss 0.6664 (0.6664) Accu 0.586 (0.586) Precision 0.542 (0.542) Recall 0.802 (0.802) F1 0.647 (0.647) AUC 0.640 (0.640)
Epoch: [23][10/12] Time 0.159 (0.170) Data 0.069 (0.077) Loss 0.6815 (0.6767) Accu 0.543 (0.563) Precision 0.519 (0.560) Recall 0.557 (0.623) F1 0.538 (0.583) AUC 0.572 (0.603)
Test: [0/2] Time 0.107 (0.107) Loss 0.7244 (0.7244) Accu 0.500 (0.500) Precision 0.540 (0.540) Recall 0.397 (0.397) F1 0.458 (0.458) AUC 0.492 (0.492)
* AUC 0.483
Epoch: [24][0/12] Time 0.156 (0.156) Data 0.066 (0.066) Loss 0.6767 (0.6767) Accu 0.531 (0.531) Precision 0.543 (0.543) Recall 0.527 (0.527) F1 0.535 (0.535) AUC 0.584 (0.584)
Epoch: [24][10/12] Time 0.147 (0.151) Data 0.060 (0.062) Loss 0.6667 (0.6712) Accu 0.566 (0.569) Precision 0.568 (0.570) Recall 0.608 (0.560) F1 0.587 (0.561) AUC 0.622 (0.611)
Test: [0/2] Time 0.102 (0.102) Loss 0.7132 (0.7132) Accu 0.539 (0.539) Precision 0.553 (0.553) Recall 0.619 (0.619) F1 0.585 (0.585) AUC 0.512 (0.512)
* AUC 0.480
Epoch: [25][0/12] Time 0.154 (0.154) Data 0.067 (0.067) Loss 0.6794 (0.6794) Accu 0.602 (0.602) Precision 0.531 (0.531) Recall 0.694 (0.694) F1 0.602 (0.602) AUC 0.612 (0.612)
Epoch: [25][10/12] Time 0.160 (0.149) Data 0.072 (0.063) Loss 0.6734 (0.6754) Accu 0.551 (0.575) Precision 0.496 (0.562) Recall 0.605 (0.658) F1 0.545 (0.605) AUC 0.603 (0.607)
Test: [0/2] Time 0.102 (0.102) Loss 0.7281 (0.7281) Accu 0.508 (0.508) Precision 0.510 (0.510) Recall 0.589 (0.589) F1 0.547 (0.547) AUC 0.473 (0.473)
* AUC 0.469
Epoch: [26][0/12] Time 0.179 (0.179) Data 0.093 (0.093) Loss 0.6711 (0.6711) Accu 0.555 (0.555) Precision 0.571 (0.571) Recall 0.647 (0.647) F1 0.607 (0.607) AUC 0.597 (0.597)
Epoch: [26][10/12] Time 0.179 (0.184) Data 0.094 (0.098) Loss 0.6688 (0.6690) Accu 0.555 (0.575) Precision 0.565 (0.575) Recall 0.504 (0.576) F1 0.533 (0.572) AUC 0.609 (0.619)
Test: [0/2] Time 0.150 (0.150) Loss 0.7223 (0.7223) Accu 0.543 (0.543) Precision 0.569 (0.569) Recall 0.574 (0.574) F1 0.571 (0.571) AUC 0.513 (0.513)
* AUC 0.477
Epoch: [27][0/12] Time 0.150 (0.150) Data 0.063 (0.063) Loss 0.6727 (0.6727) Accu 0.566 (0.566) Precision 0.630 (0.630) Recall 0.528 (0.528) F1 0.575 (0.575) AUC 0.607 (0.607)
Epoch: [27][10/12] Time 0.149 (0.148) Data 0.062 (0.061) Loss 0.6649 (0.6700) Accu 0.578 (0.579) Precision 0.541 (0.566) Recall 0.457 (0.680) F1 0.495 (0.610) AUC 0.621 (0.627)
Test: [0/2] Time 0.102 (0.102) Loss 0.7455 (0.7455) Accu 0.484 (0.484) Precision 0.486 (0.486) Recall 0.262 (0.262) F1 0.340 (0.340) AUC 0.477 (0.477)
* AUC 0.472
Epoch: [28][0/12] Time 0.152 (0.152) Data 0.064 (0.064) Loss 0.6717 (0.6717) Accu 0.551 (0.551) Precision 0.580 (0.580) Recall 0.395 (0.395) F1 0.470 (0.470) AUC 0.614 (0.614)
Epoch: [28][10/12] Time 0.145 (0.147) Data 0.060 (0.061) Loss 0.6558 (0.6633) Accu 0.594 (0.584) Precision 0.559 (0.575) Recall 0.766 (0.655) F1 0.646 (0.603) AUC 0.653 (0.639)
Test: [0/2] Time 0.103 (0.103) Loss 0.7338 (0.7338) Accu 0.512 (0.512) Precision 0.495 (0.495) Recall 0.427 (0.427) F1 0.459 (0.459) AUC 0.470 (0.470)
* AUC 0.463
Epoch: [29][0/12] Time 0.150 (0.150) Data 0.063 (0.063) Loss 0.6449 (0.6449) Accu 0.648 (0.648) Precision 0.614 (0.614) Recall 0.603 (0.603) F1 0.609 (0.609) AUC 0.678 (0.678)
Epoch: [29][10/12] Time 0.153 (0.148) Data 0.063 (0.062) Loss 0.7025 (0.6724) Accu 0.531 (0.578) Precision 0.512 (0.608) Recall 0.685 (0.464) F1 0.586 (0.511) AUC 0.563 (0.625)
Test: [0/2] Time 0.104 (0.104) Loss 0.7434 (0.7434) Accu 0.504 (0.504) Precision 0.525 (0.525) Recall 0.774 (0.774) F1 0.625 (0.625) AUC 0.493 (0.493)
* AUC 0.461
---------Evaluate Model on Test Set---------------
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Te4-PdS2-NM']_int-Int_Te_Voronoi1_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsTe2-CdI2-NM']_int-Int_As_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['OsTe2-MoS2-NM']_int-Int_Os_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2Te2-CH-NM']_int-Int_Te_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['OsBr2-GeS2-NM']_int-Int_Br_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSeTe-MoSSe-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2W2Te8-CrWS4-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbAsSb-BiTeI-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Se4-WTe2-NM']_int-Int_Se_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zn2P2S6-MnPSe3-NM']_int-Int_S_Voronoi1_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['NbH2-MoS2-NM']_int-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSb2-MoS2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sn2I2N2-FeOCl-NM']_int-Int_I_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2Te2-CH-NM']_int-Int_Te_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CrSeTe-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Hf-MoS2-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf4Br4O4-HfBrS-NM']_int-Int_Br_Voronoi6_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2I2S2-FeOCl-NM']_int-Int_I_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Zr2Se8-CrWS4-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ga2Br2S2-FeOCl-NM']_int-Int_S_Voronoi5_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Al2S2-GaSe-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AlSb-GeSe-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2F2-FeSe-NM']_int-Int_Pd_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf3ZrSe8-CrW3S8-NM']_int-Int_Hf_Voronoi4_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ag2Br2Se2-FeOCl-NM']_int-Int_Br_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Br2N2-FeOCl-NM']_int-Int_Ti_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrAsSb-BiTeI-NM']_int-Int_Sb_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfClI-BiTeI-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PtO2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2CO2-Ti2CO2-NM']_ext-Int_Li_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ge2Se4-WTe2-NM']_int-Int_Ge_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Nb2Cl2Se2-FeOCl-NM']_int-Int_Cl_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiCl2-MoS2-NM']_int-Int_Bi_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zr2S2-CH-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2Cl6-BiI3-NM']_int-Int_Cl_Voronoi2_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2Br2Se2-FeOCl-NM']_int-Int_Se_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cr2W2Se8-CrWS4-NM']_ext-Int_Li_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Cl2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaSe2-GeS2-NM']_int-Int_Ga_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Br2Ge-GeS2-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ReH2-MoS2-NM']_int-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Zn2P2S6-MnPSe3-NM']_int-Int_S_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2W2Se8-CrWS4-NM']_int-Int_Se_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['GaBr2-CdI2-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Nb-CdI2-NM']_int-Int_Nb_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pt2I2-CH-NM']_int-Int_I_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['MgI2-MoS2-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgBr2-MoS2-NM']_int-Int_Br_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiIS-BiTeI-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ca2Cl2-FeSe-NM']_int-Int_Cl_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Se2Si2-SnS-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiS2-MoS2-NM']_int-Int_Ti_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AsClSe-BiTeI-NM']_ext-Int_H_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PdCl2-GeS2-NM']_int-Int_Cl_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
Test: [0/2] Time 27.307 (27.307) Loss 0.6940 (0.6940) Accu 0.508 (0.508) Precision 0.460 (0.460) Recall 0.336 (0.336) F1 0.388 (0.388) AUC 0.504 (0.504)
/home/qimin/anaconda3/envs/defect_cgcnn/lib/python3.8/site-packages/pymatgen/io/cif.py:1155: UserWarning: Issues encountered while parsing CIF: Some fractional coordinates rounded to ideal values to avoid issues with finite precision.
warnings.warn("Issues encountered while parsing CIF: " + "\n".join(self.warnings))
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sb2Te4-PdS2-NM']_ext-Int_Li_Voronoi2_mult4-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Re2Br4-WTe2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ba2Br2-FeSe-NM']_ext-Int_H_Voronoi3_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ti2Zr2S8-CrWS4-NM']_int-Int_Zr_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Cd2P2Se6-MnPSe3-NM']_int-Int_P_Voronoi1_mult6-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ta2Br6-BiI3-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Pd2Br2-CH-NM']_int-Int_Br_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['PbBr2-MoS2-NM']_int-Int_Pb_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['CdTe2-GeS2-NM']_int-Int_Cd_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HgS-BN-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['AgI2-CdI2-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['ZrBrCl-MoSSe-NM']_ext-Int_Li_Voronoi2_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2Se6-VTe3-NM']_ext-Int_H_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['WClI-MoSSe-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['TiSe2-CdI2-NM']_int-Int_Ti_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['BiClSe-BiTeI-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Bi2Se2-GaS-NM']_int-Int_Bi_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Mo2S4-WTe2-NM']_int-Int_Mo_Voronoi4_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Os2O2-FeSe-NM']_ext-Int_Li_Voronoi2_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ir2S2-NiSe-NM']_ext-Int_H_Voronoi3_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Ru2Cl2-CH-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Hf2S2-AuSe-NM']_int-Int_S_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSTe-BiTeI-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Sc2I2Se2-FeOCl-NM']_ext-Int_Li_Voronoi1_mult2-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['Rh2S2-AuSe-NM']_ext-Int_H_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
/home/qimin/Desktop/defect_cgcnn/cgcnn/cgcnn/data.py:333: UserWarning: ['HfSe2-CdI2-NM']_int-Int_Se_Voronoi1_mult1-chg(0)_voronoi not find enough neighbors to build graph. If it happens frequently, consider increase radius.
warnings.warn('{} not find enough neighbors to build graph. '
** AUC 0.532