# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = CdTe2 # 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 2.00 2.446658180e+01 2.02 2.274413487e+01 2.04 2.112409461e+01 2.06 1.960056381e+01 2.08 1.816800690e+01 2.10 1.682117917e+01 2.12 1.555504811e+01 2.14 1.436472845e+01 2.16 1.324546935e+01 2.18 1.219273472e+01 2.20 1.120238228e+01 2.22 1.027097207e+01 2.24 9.394912008e+00 2.26 8.572105983e+00 2.28 7.799559400e+00 2.30 7.074498201e+00 2.32 6.394293363e+00 2.34 5.756460236e+00 2.36 5.158664264e+00 2.38 4.598731658e+00 2.40 4.074660759e+00 2.42 3.584602228e+00 2.44 3.126833293e+00 2.46 2.699808501e+00 2.48 2.302020113e+00 2.50 1.931999036e+00 2.52 1.588335261e+00 2.54 1.269654860e+00 2.56 9.745940228e-01 2.58 7.017755023e-01 2.60 4.497957830e-01 2.62 2.173206875e-01 2.64 2.711620604e-03 2.66 -1.951539054e-01 2.68 -3.774847643e-01 2.70 -5.452871110e-01 2.72 -6.991966664e-01 2.74 -8.404020267e-01 2.76 -9.687144999e-01 2.78 -1.084927404e+00 2.80 -1.189724336e+00 2.82 -1.283760008e+00 2.84 -1.367661470e+00 2.86 -1.442028648e+00 2.88 -1.507435604e+00 2.90 -1.564431194e+00 2.92 -1.613539955e+00 2.94 -1.655262883e+00 2.96 -1.690078181e+00 2.98 -1.718442020e+00 3.00 -1.740789185e+00 3.02 -1.757533771e+00 3.04 -1.769069805e+00 3.06 -1.775771834e+00 3.08 -1.777995503e+00 3.10 -1.776078069e+00 3.12 -1.770338892e+00 3.14 -1.761079875e+00 3.16 -1.748585886e+00 3.18 -1.733125087e+00 3.20 -1.714949264e+00 3.22 -1.694294089e+00 3.24 -1.671379298e+00 3.26 -1.646408888e+00 3.28 -1.619571193e+00 3.30 -1.591038980e+00 3.32 -1.560969519e+00 3.34 -1.529504625e+00 3.36 -1.496770804e+00 3.38 -1.462879507e+00 3.40 -1.427927624e+00 3.42 -1.391998296e+00 3.44 -1.355162375e+00 3.46 -1.317480664e+00 3.48 -1.279007306e+00 3.50 -1.239794798e+00 3.52 -1.199900975e+00 3.54 -1.159398478e+00 3.56 -1.118386925e+00 3.58 -1.077007671e+00 3.60 -1.035460112e+00 3.62 -9.940169895e-01 3.64 -9.530334898e-01 3.66 -9.129415947e-01 3.68 -8.742182955e-01 3.70 -8.373186310e-01 3.72 -8.025785400e-01 3.74 -7.701191333e-01 3.76 -7.398056501e-01 3.78 -7.112989250e-01 3.80 -6.841802123e-01 3.82 -6.580784129e-01 3.84 -6.325491512e-01 3.86 -6.080478715e-01 3.88 -5.838902609e-01 3.90 -5.601686037e-01 3.92 -5.368738908e-01 3.94 -5.139950797e-01 3.96 -4.915192970e-01 3.98 -4.694320151e-01 4.00 -4.477172977e-01 4.02 -4.263581225e-01 4.04 -4.053367025e-01 4.06 -3.846349507e-01 4.08 -3.642349784e-01 4.10 -3.441197200e-01 4.12 -3.242736801e-01 4.14 -3.046837948e-01 4.16 -2.853404385e-01 4.18 -2.662385730e-01 4.20 -2.473790293e-01 4.22 -2.287699095e-01 4.24 -2.104280610e-01 4.26 -1.923805592e-01 4.28 -1.746661020e-01 4.30 -1.573361621e-01 4.32 -1.404557194e-01 4.34 -1.241033255e-01 4.36 -1.083702205e-01 4.38 -9.335818323e-02 4.40 -7.917580860e-02 4.42 -6.593295596e-02 4.44 -5.373326728e-02 4.46 -4.266504401e-02 4.48 -3.279168262e-02 4.50 -2.414534509e-02 4.52 -1.673379464e-02 4.54 -1.058014474e-02 4.56 -5.797400727e-03 4.58 -2.566597125e-03 4.60 4.843715148e-05 4.62 2.106859750e-05 4.64 4.834021112e-06 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