# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 # composition = CuTa2 # 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 2024-11-27 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 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 nan 1.76 nan 1.78 nan 1.80 nan 1.82 nan 1.84 nan 1.86 nan 1.88 nan 1.90 nan 1.92 nan 1.94 4.392042346e+00 1.96 3.352908885e+00 1.98 2.402038336e+00 2.00 1.531464532e+00 2.02 7.340407101e-01 2.04 3.530947584e-03 2.06 -6.653450224e-01 2.08 -1.277018780e+00 2.10 -1.835165603e+00 2.12 -2.342890767e+00 2.14 -2.802912399e+00 2.16 -3.217675416e+00 2.18 -3.589469350e+00 2.20 -3.920483329e+00 2.22 -4.212897182e+00 2.24 -4.468921586e+00 2.26 -4.690877304e+00 2.28 -4.881266894e+00 2.30 -5.042815740e+00 2.32 -5.178470139e+00 2.34 -5.291254349e+00 2.36 -5.383999566e+00 2.38 -5.460266098e+00 2.40 -5.523328045e+00 2.42 -5.575904449e+00 2.44 -5.620111428e+00 2.46 -5.657472559e+00 2.48 -5.688423441e+00 2.50 -5.712679144e+00 2.52 -5.730075282e+00 2.54 -5.740559968e+00 2.56 -5.744169585e+00 2.58 -5.741010117e+00 2.60 -5.731244192e+00 2.62 -5.715088619e+00 2.64 -5.692803747e+00 2.66 -5.664688583e+00 2.68 -5.631071333e+00 2.70 -5.592297917e+00 2.72 -5.548716897e+00 2.74 -5.500663187e+00 2.76 -5.448443522e+00 2.78 -5.392320134e+00 2.80 -5.332509305e+00 2.82 -5.269175272e+00 2.84 -5.202442961e+00 2.86 -5.132405046e+00 2.88 -5.059171595e+00 2.90 -4.983018016e+00 2.92 -4.903862069e+00 2.94 -4.821599299e+00 2.96 -4.736162683e+00 2.98 -4.647517294e+00 3.00 -4.555653891e+00 3.02 -4.460581598e+00 3.04 -4.362321309e+00 3.06 -4.260901633e+00 3.08 -4.156367825e+00 3.10 -4.048794063e+00 3.12 -3.938273794e+00 3.14 -3.824928693e+00 3.16 -3.708917633e+00 3.18 -3.590465083e+00 3.20 -3.469857584e+00 3.22 -3.347474901e+00 3.24 -3.223787651e+00 3.26 -3.099357975e+00 3.28 -2.974834896e+00 3.30 -2.850927583e+00 3.32 -2.728381299e+00 3.34 -2.607943496e+00 3.36 -2.490317852e+00 3.38 -2.376132213e+00 3.40 -2.265905794e+00 3.42 -2.160025098e+00 3.44 -2.058734656e+00 3.46 -1.962135973e+00 3.48 -1.870197217e+00 3.50 -1.782774851e+00 3.52 -1.699628796e+00 3.54 -1.620455451e+00 3.56 -1.544909984e+00 3.58 -1.472624802e+00 3.60 -1.403233459e+00 3.62 -1.336386490e+00 3.64 -1.271766222e+00 3.66 -1.209094974e+00 3.68 -1.148144162e+00 3.70 -1.088741165e+00 3.72 -1.030767865e+00 3.74 -9.741645609e-01 3.76 -9.189246764e-01 3.78 -8.650929705e-01 3.80 -8.127535038e-01 3.82 -7.620239037e-01 3.84 -7.130435912e-01 3.86 -6.659597401e-01 3.88 -6.209166710e-01 3.90 -5.780441198e-01 3.92 -5.374484539e-01 3.94 -4.992030770e-01 3.96 -4.633494728e-01 3.98 -4.298877225e-01 4.00 -3.987842482e-01 4.02 -3.699713939e-01 4.04 -3.433534637e-01 4.06 -3.188108880e-01 4.08 -2.962074628e-01 4.10 -2.753954851e-01 4.12 -2.562212469e-01 4.14 -2.385296651e-01 4.16 -2.221680614e-01 4.18 -2.069899034e-01 4.20 -1.928569496e-01 4.22 -1.796424071e-01 4.24 -1.672308644e-01 4.26 -1.555205308e-01 4.28 -1.444237288e-01 4.30 -1.338679204e-01 4.32 -1.237948280e-01 4.34 -1.141620004e-01 4.36 -1.049401948e-01 4.38 -9.611333348e-02 4.40 -8.767738333e-02 4.42 -7.963704284e-02 4.44 -7.200441781e-02 4.46 -6.479516923e-02 4.48 -5.802648898e-02 4.50 -5.171349342e-02 4.52 -4.586760310e-02 4.54 -4.049411280e-02 4.56 -3.559195836e-02 4.58 -3.115279310e-02 4.60 -2.716138061e-02 4.62 -2.359658513e-02 4.64 -2.043360163e-02 4.66 -1.764392283e-02 4.68 -1.519689258e-02 4.70 -1.306090043e-02 4.72 -1.120447210e-02 4.74 -9.597209317e-03 4.76 -8.210209564e-03 4.78 -7.016646150e-03 4.80 -5.992011228e-03 4.82 -5.114120425e-03 4.84 -4.363220618e-03 4.86 -3.721772689e-03 4.88 -3.174401116e-03 4.90 -2.707664172e-03 4.92 -2.309923539e-03 4.94 -1.971108530e-03 4.96 -1.682543872e-03 4.98 -1.436798506e-03 5.00 -1.227506880e-03 5.02 -1.049226898e-03 5.04 -8.973328460e-04 5.06 -7.678729783e-04 5.08 -6.574898084e-04 5.10 -5.633268783e-04 5.12 -4.829625944e-04 5.14 -4.143349557e-04 5.16 -3.556966643e-04 5.18 -3.055635012e-04 5.20 -2.626740829e-04 5.22 -2.259576328e-04 5.24 -1.945042887e-04 5.26 -1.675408188e-04 5.28 -1.444115040e-04 5.30 -1.245558910e-04 5.32 -1.074992955e-04 5.34 -9.283626333e-05 5.36 -8.022241253e-05 5.38 -6.936336636e-05 5.40 -6.000803221e-05 5.42 -5.194261455e-05 5.44 -4.498461073e-05 5.46 -3.897748767e-05 5.48 -3.378763452e-05 5.50 -2.930057919e-05 5.52 -2.541866149e-05 5.54 -2.196556645e-05 5.56 -1.906458864e-05 5.58 -1.654968869e-05 5.60 -1.436814400e-05 5.62 -1.247442791e-05 5.64 -1.082949207e-05 5.66 -9.399675436e-06 5.68 -8.156109296e-06 5.70 -7.073774077e-06 5.72 -6.131154716e-06 5.74 -5.309700548e-06 5.76 -4.593431018e-06 5.78 -3.968451592e-06 5.80 -3.422793466e-06 5.82 -2.946089746e-06 5.84 -2.529380810e-06 5.86 -2.164915430e-06 5.88 -1.845940634e-06 5.90 -1.566608507e-06 5.92 -1.321860794e-06 5.94 -1.107288447e-06 5.96 -9.190644296e-07 5.98 -7.538591027e-07 6.00 -6.087771013e-07