# 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-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = Cd2Te # 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 2.754938749e+01 2.02 2.565487566e+01 2.04 2.387452102e+01 2.06 2.220131597e+01 2.08 2.062871961e+01 2.10 1.915061679e+01 2.12 1.776128512e+01 2.14 1.645547016e+01 2.16 1.522788868e+01 2.18 1.407414766e+01 2.20 1.298985582e+01 2.22 1.197094884e+01 2.24 1.101362996e+01 2.26 1.011434395e+01 2.28 9.269760685e+00 2.30 8.476760976e+00 2.32 7.732422980e+00 2.34 7.034010120e+00 2.36 6.378959630e+00 2.38 5.764871483e+00 2.40 5.189497058e+00 2.42 4.650727572e+00 2.44 4.146581345e+00 2.46 3.675191184e+00 2.48 3.234793213e+00 2.50 2.823720067e+00 2.52 2.440399902e+00 2.54 2.083361217e+00 2.56 1.751233805e+00 2.58 1.442753724e+00 2.60 1.156621485e+00 2.62 8.917514901e-01 2.64 6.463228837e-01 2.66 4.193010202e-01 2.68 2.092315979e-01 2.70 1.485550140e-02 2.72 -1.647191361e-01 2.74 -3.305539921e-01 2.76 -4.828819090e-01 2.78 -6.224829625e-01 2.80 -7.500695837e-01 2.82 -8.663208254e-01 2.84 -9.718839697e-01 2.86 -1.067375997e+00 2.88 -1.153384682e+00 2.90 -1.230470167e+00 2.92 -1.299165896e+00 2.94 -1.359980024e+00 2.96 -1.413396386e+00 2.98 -1.459875544e+00 3.00 -1.499855907e+00 3.02 -1.533754538e+00 3.04 -1.561968114e+00 3.06 -1.584873848e+00 3.08 -1.602830277e+00 3.10 -1.616178035e+00 3.12 -1.625240643e+00 3.14 -1.630325198e+00 3.16 -1.631723094e+00 3.18 -1.629710636e+00 3.20 -1.624549701e+00 3.22 -1.616488328e+00 3.24 -1.605761277e+00 3.26 -1.592590610e+00 3.28 -1.577186192e+00 3.30 -1.559746245e+00 3.32 -1.540457829e+00 3.34 -1.519497361e+00 3.36 -1.497031118e+00 3.38 -1.473215789e+00 3.40 -1.448198995e+00 3.42 -1.422119904e+00 3.44 -1.395109866e+00 3.46 -1.367293084e+00 3.48 -1.338787317e+00 3.50 -1.309704553e+00 3.52 -1.280151539e+00 3.54 -1.250230092e+00 3.56 -1.220036974e+00 3.58 -1.189663243e+00 3.60 -1.159193098e+00 3.62 -1.128702465e+00 3.64 -1.098257928e+00 3.66 -1.067916701e+00 3.68 -1.037727995e+00 3.70 -1.007735418e+00 3.72 -9.779269083e-01 3.74 -9.484843265e-01 3.76 -9.193254097e-01 3.78 -8.904953158e-01 3.80 -8.620323947e-01 3.82 -8.339627864e-01 3.84 -8.063094437e-01 3.86 -7.790922847e-01 3.88 -7.523283190e-01 3.90 -7.260317779e-01 3.92 -7.002142388e-01 3.94 -6.748847312e-01 3.96 -6.500498687e-01 3.98 -6.257139526e-01 4.00 -6.018790730e-01 4.02 -5.785452271e-01 4.04 -5.557104075e-01 4.06 -5.333707296e-01 4.08 -5.115205164e-01 4.10 -4.901524309e-01 4.12 -4.692575669e-01 4.14 -4.488256044e-01 4.16 -4.288449214e-01 4.18 -4.093027472e-01 4.20 -3.901853502e-01 4.22 -3.714782066e-01 4.24 -3.531662394e-01 4.26 -3.352340650e-01 4.28 -3.176662938e-01 4.30 -3.004478710e-01 4.32 -2.835644753e-01 4.34 -2.670029765e-01 4.36 -2.507519550e-01 4.38 -2.348022952e-01 4.40 -2.191478415e-01 4.42 -2.037861179e-01 4.44 -1.887191018e-01 4.46 -1.739540208e-01 4.48 -1.595041459e-01 4.50 -1.453895292e-01 4.52 -1.316376112e-01 4.54 -1.182836152e-01 4.56 -1.053706031e-01 4.58 -9.294906735e-02 4.60 -8.107589581e-02 4.62 -6.981256061e-02 4.64 -5.922239304e-02 4.66 -4.936688487e-02 4.68 -4.030113624e-02 4.70 -3.206903310e-02 4.72 -2.469981564e-02 4.74 -1.821019605e-02 4.76 -1.262009655e-02 4.78 -7.988013553e-03 4.80 -4.435427460e-03 4.82 -2.062650411e-03 4.84 3.401860630e-05 4.86 1.686459882e-05 4.88 6.150206260e-06 4.90 1.012491550e-17 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