# 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 = TeZn2 # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 1.377508847e+04 0.88 1.200627458e+04 0.90 1.048596332e+04 0.92 9.171957081e+03 0.94 8.037247737e+03 0.96 7.057412423e+03 0.98 6.208406976e+03 1.00 5.470918395e+03 1.02 4.831509693e+03 1.04 4.278530793e+03 1.06 3.799344074e+03 1.08 3.380985331e+03 1.10 3.013256910e+03 1.12 2.690300199e+03 1.14 2.407959995e+03 1.16 2.161596452e+03 1.18 1.946061495e+03 1.20 1.756167982e+03 1.22 1.587190807e+03 1.24 1.435302940e+03 1.26 1.297951153e+03 1.28 1.173660595e+03 1.30 1.061364941e+03 1.32 9.601842641e+02 1.34 8.694166634e+02 1.36 7.884219935e+02 1.38 7.164665468e+02 1.40 6.526407369e+02 1.42 5.958596916e+02 1.44 5.449288675e+02 1.46 4.986789541e+02 1.48 4.561465731e+02 1.50 4.166971704e+02 1.52 3.799767086e+02 1.54 3.457753484e+02 1.56 3.139632657e+02 1.58 2.844596230e+02 1.60 2.571970289e+02 1.62 2.321044546e+02 1.64 2.091066475e+02 1.66 1.881269959e+02 1.68 1.690899228e+02 1.70 1.519211188e+02 1.72 1.365443740e+02 1.74 1.228758369e+02 1.76 1.108189290e+02 1.78 1.002620608e+02 1.80 9.107813212e+01 1.82 8.312485158e+01 1.84 7.624622052e+01 1.86 7.027601204e+01 1.88 6.504424246e+01 1.90 6.038736227e+01 1.92 5.616166584e+01 1.94 5.225669515e+01 1.96 4.860172188e+01 1.98 4.515852710e+01 2.00 4.190473120e+01 2.02 3.882259936e+01 2.04 3.589729666e+01 2.06 3.311756736e+01 2.08 3.047587937e+01 2.10 2.796774026e+01 2.12 2.559041352e+01 2.14 2.334171980e+01 2.16 2.121947306e+01 2.18 1.922139213e+01 2.20 1.734509213e+01 2.22 1.558805858e+01 2.24 1.394761958e+01 2.26 1.242091955e+01 2.28 1.100489462e+01 2.30 9.696250345e+00 2.32 8.491441856e+00 2.34 7.386657211e+00 2.36 6.377804566e+00 2.38 5.460504145e+00 2.40 4.630086266e+00 2.42 3.881597077e+00 2.44 3.209814175e+00 2.46 2.609274825e+00 2.48 2.074320050e+00 2.50 1.599158176e+00 2.52 1.177951180e+00 2.54 8.049258867e-01 2.56 4.745090294e-01 2.58 1.814796661e-01 2.60 -7.887571561e-02 2.62 -3.106300736e-01 2.64 -5.171377500e-01 2.66 -7.010447804e-01 2.68 -8.644040209e-01 2.70 -1.008872863e+00 2.72 -1.135923433e+00 2.74 -1.246977342e+00 2.76 -1.343427699e+00 2.78 -1.426595513e+00 2.80 -1.497685114e+00 2.82 -1.557754070e+00 2.84 -1.607691392e+00 2.86 -1.648204888e+00 2.88 -1.679821918e+00 2.90 -1.702907394e+00 2.92 -1.717700500e+00 2.94 -1.724367044e+00 2.96 -1.723058153e+00 2.98 -1.713960644e+00 3.00 -1.697324565e+00 3.02 -1.673463039e+00 3.04 -1.642735078e+00 3.06 -1.605529486e+00 3.08 -1.562258442e+00 3.10 -1.513356929e+00 3.12 -1.459283249e+00 3.14 -1.400519355e+00 3.16 -1.337570843e+00 3.18 -1.270966547e+00 3.20 -1.201257699e+00 3.22 -1.129016549e+00 3.24 -1.054834418e+00 3.26 -9.793190800e-01 3.28 -9.030914183e-01 3.30 -8.267812704e-01 3.32 -7.510224037e-01 3.34 -6.764465491e-01 3.36 -6.036764459e-01 3.38 -5.333178593e-01 3.40 -4.659505605e-01 3.42 -4.021182895e-01 3.44 -3.423177669e-01 3.46 -2.869868823e-01 3.48 -2.364922704e-01 3.50 -1.911165946e-01 3.52 -1.510460112e-01 3.54 -1.163584785e-01 3.56 -8.701383151e-02 3.58 -6.284684934e-02 3.60 -4.356489194e-02 3.62 -2.875201560e-02 3.64 -1.788167557e-02 3.66 -1.033997130e-02 3.68 -5.460557962e-03 3.70 -2.570440156e-03 3.72 -1.042601504e-03 3.74 -3.470827358e-04 3.76 -8.819847694e-05 3.78 -1.528055347e-05 3.80 -1.498265836e-06 3.82 -5.975085031e-08 3.84 -5.073256498e-10 3.86 -2.120625611e-13 3.88 -6.778318490e-20 3.90 -1.665311391e-37 3.92 -1.641371581e-263 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00