# 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 = Te2Zn # 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 1.962619900e+01 2.02 1.811706352e+01 2.04 1.669975715e+01 2.06 1.536917610e+01 2.08 1.412049492e+01 2.10 1.294909796e+01 2.12 1.185050540e+01 2.14 1.082031482e+01 2.16 9.854197631e+00 2.18 8.947990824e+00 2.20 8.097889432e+00 2.22 7.300774476e+00 2.24 6.553393662e+00 2.26 5.854017991e+00 2.28 5.200076285e+00 2.30 4.589201006e+00 2.32 4.019317739e+00 2.34 3.488334353e+00 2.36 2.994208582e+00 2.38 2.534930807e+00 2.40 2.108490036e+00 2.42 1.713053537e+00 2.44 1.346931026e+00 2.46 1.008583472e+00 2.48 6.965548429e-01 2.50 4.094601424e-01 2.52 1.459687966e-01 2.54 -9.521689105e-02 2.56 -3.153859419e-01 2.58 -5.158399012e-01 2.60 -6.979020497e-01 2.62 -8.629045711e-01 2.64 -1.012153674e+00 2.66 -1.146881069e+00 2.68 -1.268196651e+00 2.70 -1.377044985e+00 2.72 -1.474042804e+00 2.74 -1.560351259e+00 2.76 -1.635808853e+00 2.78 -1.701174566e+00 2.80 -1.757092125e+00 2.82 -1.804176823e+00 2.84 -1.843016417e+00 2.86 -1.874171939e+00 2.88 -1.898178529e+00 2.90 -1.915546214e+00 2.92 -1.926760664e+00 2.94 -1.932283963e+00 2.96 -1.932555263e+00 2.98 -1.927991522e+00 3.00 -1.918988126e+00 3.02 -1.905919543e+00 3.04 -1.889139898e+00 3.06 -1.868983562e+00 3.08 -1.845765675e+00 3.10 -1.819782635e+00 3.12 -1.791312552e+00 3.14 -1.760615657e+00 3.16 -1.727934664e+00 3.18 -1.693495041e+00 3.20 -1.657505296e+00 3.22 -1.620157119e+00 3.24 -1.581625506e+00 3.26 -1.542068810e+00 3.28 -1.501628711e+00 3.30 -1.460430152e+00 3.32 -1.418581217e+00 3.34 -1.376173049e+00 3.36 -1.333279770e+00 3.38 -1.289958564e+00 3.40 -1.246250039e+00 3.42 -1.202178978e+00 3.44 -1.157755860e+00 3.46 -1.112979349e+00 3.48 -1.067840334e+00 3.50 -1.022327969e+00 3.52 -9.764384060e-01 3.54 -9.301868477e-01 3.56 -8.836233448e-01 3.58 -8.368523803e-01 3.60 -7.900551973e-01 3.62 -7.435122294e-01 3.64 -6.976200777e-01 3.66 -6.528938612e-01 3.68 -6.099410801e-01 3.70 -5.693911115e-01 3.72 -5.317716307e-01 3.74 -4.973518372e-01 3.76 -4.660223608e-01 3.78 -4.373082384e-01 3.80 -4.105435519e-01 3.82 -3.851040650e-01 3.84 -3.603611196e-01 3.86 -3.366955796e-01 3.88 -3.133779498e-01 3.90 -2.905120717e-01 3.92 -2.681097205e-01 3.94 -2.461908268e-01 3.96 -2.247846259e-01 3.98 -2.039306623e-01 4.00 -1.836795267e-01 4.02 -1.640931786e-01 4.04 -1.452446688e-01 4.06 -1.272170579e-01 4.08 -1.101013096e-01 4.10 -9.399294817e-02 4.12 -7.898731545e-02 4.14 -6.517335656e-02 4.16 -5.262606694e-02 4.18 -4.139815470e-02 4.20 -3.151253789e-02 4.22 -2.296009463e-02 4.24 -1.571374662e-02 4.26 -9.777188919e-03 4.28 -5.253712263e-03 4.30 -2.282367638e-03 4.32 3.830506250e-05 4.34 1.710227680e-05 4.36 3.919894909e-06 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