# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te # implementation = 2012--Ward-D-K--Cd-Te--LAMMPS--ipr1 # composition = CdTe3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 2.00 3.430665379e+01 5.983285448e+01 7.023003592e+01 2.02 3.198317946e+01 5.631713957e+01 6.624253284e+01 2.04 2.979529238e+01 5.299246716e+01 6.246916595e+01 2.06 2.773543846e+01 4.984830582e+01 5.889822827e+01 2.08 2.579652370e+01 4.687481861e+01 5.551865188e+01 2.10 2.397183304e+01 4.406274877e+01 5.231980421e+01 2.12 2.225493104e+01 4.140331078e+01 4.929128828e+01 2.14 2.063958762e+01 3.888804705e+01 4.642280094e+01 2.16 1.911961492e+01 3.650877691e+01 4.370392544e+01 2.18 1.768938939e+01 3.425762742e+01 4.112503772e+01 2.20 1.634375755e+01 3.212719359e+01 3.867757330e+01 2.22 1.507855810e+01 3.011072117e+01 3.635498476e+01 2.24 1.388945394e+01 2.820116101e+01 3.415070163e+01 2.26 1.277354491e+01 2.639275383e+01 3.206147989e+01 2.28 1.172623682e+01 2.467887780e+01 3.008153221e+01 2.30 1.074278852e+01 2.305386977e+01 2.820545162e+01 2.32 9.818512831e+00 2.151356859e+01 2.642817443e+01 2.34 8.949177051e+00 2.005358386e+01 2.474495434e+01 2.36 8.131461519e+00 1.867234032e+01 2.315132925e+01 2.38 7.362958169e+00 1.736592746e+01 2.164306817e+01 2.40 6.641908628e+00 1.613071467e+01 2.021610615e+01 2.42 5.967244442e+00 1.496329209e+01 1.886645081e+01 2.44 5.336562578e+00 1.386045707e+01 1.759007916e+01 2.46 4.747564159e+00 1.281917697e+01 1.638285000e+01 2.48 4.198077838e+00 1.183662972e+01 1.524048979e+01 2.50 3.685943120e+00 1.091012115e+01 1.415870747e+01 2.52 3.209223952e+00 1.003706243e+01 1.313348321e+01 2.54 2.765994882e+00 9.214967051e+00 1.216145459e+01 2.56 2.354429861e+00 8.441388656e+00 1.124080871e+01 2.58 1.972782620e+00 7.713838958e+00 1.036745925e+01 2.60 1.619384155e+00 7.029839750e+00 9.542545411e+00 2.62 1.292643302e+00 6.386822936e+00 8.763633716e+00 2.64 9.910461189e-01 5.781970835e+00 8.028556543e+00 2.66 7.131557610e-01 5.212894666e+00 7.335231577e+00 2.68 4.576141681e-01 4.677310546e+00 6.681660705e+00 2.70 2.231312107e-01 4.173373565e+00 6.065931717e+00 2.72 8.488680036e-03 3.699884969e+00 5.486217295e+00 2.74 -1.874863807e-01 3.254970642e+00 4.940781025e+00 2.76 -3.658795386e-01 2.838748966e+00 4.427983425e+00 2.78 -5.277629726e-01 2.449763216e+00 3.946282988e+00 2.80 -6.741568244e-01 2.086662262e+00 3.494237600e+00 2.82 -8.060323614e-01 1.748149916e+00 3.070487008e+00 2.84 -9.243132743e-01 1.432983124e+00 2.673709962e+00 2.86 -1.029877350e+00 1.139970396e+00 2.302708264e+00 2.88 -1.123558430e+00 8.679702072e-01 1.956293002e+00 2.90 -1.206147699e+00 6.158880010e-01 1.633275955e+00 2.92 -1.278395416e+00 3.826760611e-01 1.332509658e+00 2.94 -1.341012470e+00 1.673305800e-01 1.052878086e+00 2.96 -1.394671521e+00 -3.110994229e-02 7.932901403e-01 2.98 -1.440008318e+00 -2.135651473e-01 5.526764148e-01 3.00 -1.477622964e+00 -3.809153864e-01 3.299877390e-01 3.02 -1.508081132e+00 -5.340024997e-01 1.242018803e-01 3.04 -1.531914880e+00 -6.736312413e-01 -6.565050291e-02 3.06 -1.549623734e+00 -8.005711071e-01 -2.405467382e-01 3.08 -1.561675661e+00 -9.155571606e-01 -4.013244937e-01 3.10 -1.568507649e+00 -1.019291002e+00 -5.488069197e-01 3.12 -1.570526575e+00 -1.112442507e+00 -6.837455842e-01 3.14 -1.568110062e+00 -1.195650667e+00 -8.067299548e-01 3.16 -1.561607026e+00 -1.269524594e+00 -9.187328348e-01 3.18 -1.551338670e+00 -1.334644675e+00 -1.019948755e+00 3.20 -1.537599598e+00 -1.391563568e+00 -1.111051749e+00 3.22 -1.520659342e+00 -1.440807005e+00 -1.192625808e+00 3.24 -1.500764330e+00 -1.482874911e+00 -1.265229955e+00 3.26 -1.478141026e+00 -1.518242100e+00 -1.329399305e+00 3.28 -1.453000137e+00 -1.547359229e+00 -1.385645696e+00 3.30 -1.425542360e+00 -1.570653547e+00 -1.434458441e+00 3.32 -1.395966223e+00 -1.588529686e+00 -1.476305053e+00 3.34 -1.364477832e+00 -1.601370357e+00 -1.511631876e+00 3.36 -1.331302271e+00 -1.609537386e+00 -1.540864879e+00 3.38 -1.296695590e+00 -1.613372406e+00 -1.564410361e+00 3.40 -1.260955184e+00 -1.613197541e+00 -1.582655278e+00 3.42 -1.224424927e+00 -1.609316790e+00 -1.595968232e+00 3.44 -1.187490944e+00 -1.602016863e+00 -1.604699700e+00 3.46 -1.150563556e+00 -1.591568770e+00 -1.609182923e+00 3.48 -1.114043346e+00 -1.578229371e+00 -1.609734097e+00 3.50 -1.078274730e+00 -1.562243597e+00 -1.606653187e+00 3.52 -1.043497135e+00 -1.543846668e+00 -1.600224232e+00 3.54 -1.009812401e+00 -1.523267093e+00 -1.590715836e+00 3.56 -9.771869027e-01 -1.500729526e+00 -1.578381722e+00 3.58 -9.454932301e-01 -1.476457307e+00 -1.563460864e+00 3.60 -9.145702977e-01 -1.450674435e+00 -1.546178108e+00 3.62 -8.839559917e-01 -1.423604995e+00 -1.526744201e+00 3.64 -8.545624275e-01 -1.395470120e+00 -1.505356497e+00 3.66 -8.252751570e-01 -1.366480161e+00 -1.482198803e+00 3.68 -7.962722350e-01 -1.336823019e+00 -1.457441713e+00 3.70 -7.675693851e-01 -1.306650249e+00 -1.431242804e+00 3.72 -7.391775682e-01 -1.276064968e+00 -1.403746676e+00 3.74 -7.111032651e-01 -1.245117918e+00 -1.375085040e+00 3.76 -6.833486204e-01 -1.213816461e+00 -1.345376649e+00 3.78 -6.559116654e-01 -1.182146335e+00 -1.314727184e+00 3.80 -6.287865496e-01 -1.150098576e+00 -1.283229286e+00 3.82 -6.019638083e-01 -1.117688142e+00 -1.250962175e+00 3.84 -5.754307201e-01 -1.084818569e+00 -1.217991617e+00 3.86 -5.491716401e-01 -1.051933635e+00 -1.184369632e+00 3.88 -5.231685076e-01 -1.018685946e+00 -1.150134187e+00 3.90 -4.974014306e-01 -9.852484897e-01 -1.115309143e+00 3.92 -4.718493241e-01 -9.516117344e-01 -1.079904043e+00 3.94 -4.464909036e-01 -9.177548295e-01 -1.043914556e+00 3.96 -4.213055142e-01 -8.836456235e-01 -1.007322471e+00 3.98 -3.962745229e-01 -8.492417523e-01 -9.700970465e-01 4.00 -3.713826440e-01 -8.144918468e-01 -9.321963927e-01 4.02 -3.466196930e-01 -7.793380398e-01 -8.935701637e-01 4.04 -3.219826887e-01 -7.437198014e-01 -8.541636095e-01 4.06 -2.974781287e-01 -7.075789813e-01 -8.139228274e-01 4.08 -2.731250282e-01 -6.708676431e-01 -7.728030489e-01 4.10 -2.489583883e-01 -6.335579020e-01 -7.307790349e-01 4.12 -2.250333771e-01 -5.956545608e-01 -6.878587495e-01 4.14 -2.014302829e-01 -5.572109662e-01 -6.441010817e-01 4.16 -1.782597248e-01 -5.183471378e-01 -5.996369521e-01 4.18 -1.556675631e-01 -4.792694813e-01 -5.546940621e-01 4.20 -1.338378504e-01 -4.402857484e-01 -5.096236399e-01 4.22 -1.129916287e-01 -4.018379118e-01 -4.649256809e-01 4.24 -9.337909648e-02 -3.644666792e-01 -4.212649903e-01 4.26 -7.526346288e-02 -3.288113360e-01 -3.794640457e-01 4.28 -5.889705639e-02 -2.955826443e-01 -3.404510691e-01 4.30 -4.449296421e-02 -2.654279197e-01 -3.051417229e-01 4.32 -3.187208346e-02 -2.388392943e-01 -2.742498165e-01 4.34 -2.194278958e-02 -2.160414050e-01 -2.480640497e-01 4.36 -1.401309214e-02 -1.968824856e-01 -2.262881751e-01 4.38 -7.956342370e-03 -1.807910188e-01 -2.080819487e-01 4.40 -3.575501659e-03 -1.669126367e-01 -1.923498141e-01 4.42 -9.190123708e-04 -1.544054885e-01 -1.781084025e-01 4.44 6.363970001e-06 -1.425716392e-01 -1.645677094e-01 4.46 0.000000000e+00 -1.314561800e-01 -1.518469818e-01 4.48 0.000000000e+00 -1.205344125e-01 -1.393176544e-01 4.50 0.000000000e+00 -1.098663136e-01 -1.270667810e-01 4.52 0.000000000e+00 -9.947257327e-02 -1.151200517e-01 4.54 0.000000000e+00 -8.937977057e-02 -1.035100099e-01 4.56 0.000000000e+00 -7.962039583e-02 -9.227612508e-02 4.58 0.000000000e+00 -7.023255357e-02 -8.146450843e-02 4.60 0.000000000e+00 -6.125917272e-02 -7.112706934e-02 4.62 0.000000000e+00 -5.274664157e-02 -6.132002085e-02 4.64 0.000000000e+00 -4.474273718e-02 -5.210157361e-02 4.66 0.000000000e+00 -3.729384160e-02 -4.352877659e-02 4.68 0.000000000e+00 -3.044150018e-02 -3.565346334e-02 4.70 0.000000000e+00 -2.421879794e-02 -2.851753094e-02 4.72 0.000000000e+00 -1.864784967e-02 -2.214825116e-02 4.74 0.000000000e+00 -1.374155639e-02 -1.655547269e-02 4.76 0.000000000e+00 -9.515792655e-03 -1.173563141e-02 4.78 0.000000000e+00 -6.016260308e-03 -7.692006283e-03 4.80 0.000000000e+00 -3.335928166e-03 -4.474204516e-03 4.82 0.000000000e+00 -1.549308363e-03 -2.182842700e-03 4.84 0.000000000e+00 2.551284106e-05 3.828145695e-05 4.86 0.000000000e+00 1.264835047e-05 1.897348767e-05 4.88 0.000000000e+00 4.612647704e-06 6.918992676e-06 4.90 0.000000000e+00 7.593704996e-18 9.049842813e-18 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00