# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = CdS2Te # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 2.121310966e+04 2.121310966e+04 0.96 1.859735244e+04 1.859735244e+04 0.98 1.635186589e+04 1.635186589e+04 1.00 1.442935654e+04 1.442935654e+04 1.02 1.278595949e+04 1.278595949e+04 1.04 1.137659302e+04 1.137659302e+04 1.06 1.015635592e+04 1.015635592e+04 1.08 9.087300076e+03 9.087300076e+03 1.10 8.144056089e+03 8.144056089e+03 1.12 7.309579883e+03 7.309579883e+03 1.14 6.569864270e+03 6.569864270e+03 1.16 5.912286086e+03 5.912286086e+03 1.18 5.325146763e+03 5.325146763e+03 1.20 4.797784429e+03 4.797784429e+03 1.22 4.321371443e+03 4.321371443e+03 1.24 3.890070062e+03 3.890070062e+03 1.26 3.500649899e+03 3.500649899e+03 1.28 3.150889944e+03 3.150889944e+03 1.30 2.838575506e+03 2.838575506e+03 1.32 2.561133947e+03 2.561133947e+03 1.34 2.315687856e+03 2.315687856e+03 1.36 2.099199555e+03 2.099199555e+03 1.38 1.908577193e+03 1.908577193e+03 1.40 1.740699161e+03 1.740699161e+03 1.42 1.592350082e+03 1.592350082e+03 1.44 1.460227515e+03 1.460227515e+03 1.46 1.341244094e+03 1.341244094e+03 1.48 1.232879430e+03 1.232879430e+03 1.50 1.133211458e+03 1.133211458e+03 1.52 1.040821893e+03 1.040821893e+03 1.54 9.547554127e+02 9.547554127e+02 1.56 8.744330679e+02 8.744330679e+02 1.58 7.995407956e+02 7.995407956e+02 1.60 7.299124060e+02 7.299124060e+02 1.62 6.654208743e+02 6.654208743e+02 1.64 6.059313594e+02 6.059313594e+02 1.66 5.513019103e+02 5.513019103e+02 1.68 5.013910750e+02 5.013910750e+02 1.70 4.560600152e+02 4.560600152e+02 1.72 4.151646286e+02 4.151646286e+02 1.74 3.785383216e+02 3.785383216e+02 1.76 3.459744865e+02 3.459744865e+02 1.78 3.172167331e+02 3.172167331e+02 1.80 2.919546041e+02 2.919546041e+02 1.82 2.698226352e+02 2.698226352e+02 1.84 2.504053669e+02 2.504053669e+02 1.86 2.332529757e+02 2.332529757e+02 1.88 2.179119179e+02 2.179119179e+02 1.90 2.039695031e+02 2.039695031e+02 1.92 1.910981759e+02 1.910981759e+02 1.94 1.790735510e+02 1.790735510e+02 1.96 1.677559627e+02 1.677559627e+02 1.98 1.570621054e+02 1.570621054e+02 2.00 1.469452703e+02 1.469452703e+02 2.02 1.373790859e+02 1.373790859e+02 2.04 1.283475311e+02 1.283475311e+02 2.06 1.198397202e+02 1.198397202e+02 2.08 1.118455727e+02 1.118455727e+02 2.10 1.043533999e+02 1.043533999e+02 2.12 9.734924573e+01 9.734924573e+01 2.14 9.081664907e+01 9.081664907e+01 2.16 8.473646145e+01 8.473646145e+01 2.18 7.908673218e+01 7.908673218e+01 2.20 7.384269639e+01 7.384269639e+01 2.22 6.897691080e+01 6.897691080e+01 2.24 6.445958841e+01 6.445958841e+01 2.26 6.025918401e+01 6.025918401e+01 2.28 5.634326856e+01 5.634326856e+01 2.30 5.267969459e+01 5.267969459e+01 2.32 4.923798923e+01 4.923798923e+01 2.34 4.599081913e+01 4.599081913e+01 2.36 4.291527128e+01 4.291527128e+01 2.38 3.999363031e+01 3.999363031e+01 2.40 3.721335717e+01 3.721335717e+01 2.42 3.456613701e+01 3.456613701e+01 2.44 3.204621901e+01 3.204621901e+01 2.46 2.964875093e+01 2.964875093e+01 2.48 2.736887168e+01 2.736887168e+01 2.50 2.520157441e+01 2.520157441e+01 2.52 2.314181544e+01 2.314181544e+01 2.54 2.118463592e+01 2.118463592e+01 2.56 1.932529898e+01 1.932529898e+01 2.58 1.755944268e+01 1.755944268e+01 2.60 1.588323314e+01 1.588323314e+01 2.62 1.429349285e+01 1.429349285e+01 2.64 1.278777083e+01 1.278777083e+01 2.66 1.136432125e+01 1.136432125e+01 2.68 1.002197333e+01 1.002197333e+01 2.70 8.759911583e+00 8.759911583e+00 2.72 7.577431921e+00 7.577431921e+00 2.74 6.473758653e+00 6.473758653e+00 2.76 5.447964608e+00 5.447964608e+00 2.78 4.498959172e+00 4.498959172e+00 2.80 3.625486697e+00 3.625486697e+00 2.82 2.826118125e+00 2.826118125e+00 2.84 2.099241076e+00 2.099241076e+00 2.86 1.443050915e+00 1.443050915e+00 2.88 8.555432228e-01 8.555432228e-01 2.90 3.345079892e-01 3.345079892e-01 2.92 -1.224741243e-01 -1.224741243e-01 2.94 -5.180330837e-01 -5.180330837e-01 2.96 -8.550079357e-01 -8.550079357e-01 2.98 -1.136441993e+00 -1.136441993e+00 3.00 -1.365574317e+00 -1.365574317e+00 3.02 -1.545827074e+00 -1.545827074e+00 3.04 -1.680788346e+00 -1.680788346e+00 3.06 -1.774190055e+00 -1.774190055e+00 3.08 -1.829880712e+00 -1.829880712e+00 3.10 -1.851792839e+00 -1.851792839e+00 3.12 -1.843905086e+00 -1.843905086e+00 3.14 -1.810199292e+00 -1.810199292e+00 3.16 -1.754613044e+00 -1.754613044e+00 3.18 -1.680988662e+00 -1.680988662e+00 3.20 -1.593020018e+00 -1.593020018e+00 3.22 -1.494199090e+00 -1.494199090e+00 3.24 -1.387764795e+00 -1.387764795e+00 3.26 -1.276657172e+00 -1.276657172e+00 3.28 -1.163480537e+00 -1.163480537e+00 3.30 -1.050479442e+00 -1.050479442e+00 3.32 -9.395310506e-01 -9.395310506e-01 3.34 -8.321565443e-01 -8.321565443e-01 3.36 -7.295519926e-01 -7.295519926e-01 3.38 -6.326357100e-01 -6.326357100e-01 3.40 -5.421046496e-01 -5.421046496e-01 3.42 -4.584881855e-01 -4.584881855e-01 3.44 -3.821862673e-01 -3.821862673e-01 3.46 -3.134835515e-01 -3.134835515e-01 3.48 -2.525424166e-01 -2.525424166e-01 3.50 -1.993892751e-01 -1.993892751e-01 3.52 -1.539080722e-01 -1.539080722e-01 3.54 -1.158403552e-01 -1.158403552e-01 3.56 -8.478209844e-02 -8.478209844e-02 3.58 -6.017671496e-02 -6.017671496e-02 3.60 -4.131743912e-02 -4.131743912e-02 3.62 -2.737448101e-02 -2.737448101e-02 3.64 -1.745078438e-02 -1.745078438e-02 3.66 -1.065616385e-02 -1.065616385e-02 3.68 -6.182494273e-03 -6.182494273e-03 3.70 -3.359285899e-03 -3.359285899e-03 3.72 -1.671581091e-03 -1.671581091e-03 3.74 -7.389448273e-04 -7.389448273e-04 3.76 -2.792080025e-04 -2.792080025e-04 3.78 -8.564516806e-05 -8.564516806e-05 3.80 -1.978859816e-05 -1.978859816e-05 3.82 -3.068481514e-06 -3.068481514e-06 3.84 -2.645801401e-07 -2.645801401e-07 3.86 -9.134975230e-09 -9.134975230e-09 3.88 -6.729164225e-11 -6.729164225e-11 3.90 -2.663868407e-14 -2.663868407e-14 3.92 -1.380614237e-20 -1.380614237e-20 3.94 -4.139661204e-36 -4.139661204e-36 3.96 -1.245324048e-137 -1.245324048e-137 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00