# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Cu2Mo # 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 2024-04-11 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 1.881666512e+02 1.16 1.728469148e+02 1.18 1.588003955e+02 1.20 1.458996987e+02 1.22 1.340356903e+02 1.24 1.231165090e+02 1.26 1.130644618e+02 1.28 1.038122427e+02 1.30 9.529885620e+01 1.32 8.746668440e+01 1.34 8.026008394e+01 1.36 7.362475306e+01 1.38 6.750813591e+01 1.40 6.186128323e+01 1.42 5.664097679e+01 1.44 5.181045403e+01 1.46 4.733847260e+01 1.48 4.319839980e+01 1.50 3.936937016e+01 1.52 3.582903386e+01 1.54 3.255626033e+01 1.56 2.953150044e+01 1.58 2.673698251e+01 1.60 2.415669485e+01 1.62 2.177654242e+01 1.64 1.958427691e+01 1.66 1.756899597e+01 1.68 1.572039196e+01 1.70 1.402803047e+01 1.72 1.248085909e+01 1.74 1.106706162e+01 1.76 9.774279412e+00 1.78 8.590108308e+00 1.80 7.502719042e+00 1.82 6.501454537e+00 1.84 5.577271249e+00 1.86 4.722917866e+00 1.88 3.932820828e+00 1.90 3.202747432e+00 1.92 2.529382314e+00 1.94 1.909947535e+00 1.96 1.341933496e+00 1.98 8.229337879e-01 2.00 3.505383000e-01 2.02 -7.775320538e-02 2.04 -4.646047454e-01 2.06 -8.128900684e-01 2.08 -1.125691401e+00 2.10 -1.406241119e+00 2.12 -1.657813079e+00 2.14 -1.883390461e+00 2.16 -2.085924162e+00 2.18 -2.268581585e+00 2.20 -2.433992774e+00 2.22 -2.584275240e+00 2.24 -2.721106958e+00 2.26 -2.845481590e+00 2.28 -2.957862386e+00 2.30 -3.058810083e+00 2.32 -3.148995084e+00 2.34 -3.229158364e+00 2.36 -3.300058863e+00 2.38 -3.362415463e+00 2.40 -3.416861514e+00 2.42 -3.463925559e+00 2.44 -3.504038975e+00 2.46 -3.537571788e+00 2.48 -3.565335148e+00 2.50 -3.587462693e+00 2.52 -3.603736981e+00 2.54 -3.614040229e+00 2.56 -3.618341490e+00 2.58 -3.616684877e+00 2.60 -3.609180873e+00 2.62 -3.596001879e+00 2.64 -3.577393121e+00 2.66 -3.553721763e+00 2.68 -3.525425015e+00 2.70 -3.492984647e+00 2.72 -3.456913894e+00 2.74 -3.417734378e+00 2.76 -3.375946066e+00 2.78 -3.331997021e+00 2.80 -3.286260505e+00 2.82 -3.239024539e+00 2.84 -3.190494670e+00 2.86 -3.140806766e+00 2.88 -3.090044685e+00 2.90 -3.038258027e+00 2.92 -2.985476728e+00 2.94 -2.931721145e+00 2.96 -2.877007722e+00 2.98 -2.821351144e+00 3.00 -2.764764157e+00 3.02 -2.707256182e+00 3.04 -2.648831568e+00 3.06 -2.589488068e+00 3.08 -2.529215831e+00 3.10 -2.467997088e+00 3.12 -2.405806595e+00 3.14 -2.342612913e+00 3.16 -2.278380659e+00 3.18 -2.213073884e+00 3.20 -2.146660745e+00 3.22 -2.079119579e+00 3.24 -2.010446314e+00 3.26 -1.940662945e+00 3.28 -1.869826522e+00 3.30 -1.798037805e+00 3.32 -1.725448538e+00 3.34 -1.652266198e+00 3.36 -1.578755125e+00 3.38 -1.505233243e+00 3.40 -1.432063997e+00 3.42 -1.359643732e+00 3.44 -1.288385346e+00 3.46 -1.218699576e+00 3.48 -1.150975673e+00 3.50 -1.085563315e+00 3.52 -1.022757453e+00 3.54 -9.627873891e-01 3.56 -9.058108175e-01 3.58 -8.519129397e-01 3.60 -8.011102306e-01 3.62 -7.533580081e-01 3.64 -7.085607388e-01 3.66 -6.665839540e-01 3.68 -6.272667240e-01 3.70 -5.904337924e-01 3.72 -5.559066438e-01 3.74 -5.235129396e-01 3.76 -4.930938915e-01 3.78 -4.645092662e-01 3.80 -4.376398511e-01 3.82 -4.123873862e-01 3.84 -3.886721933e-01 3.86 -3.664289874e-01 3.88 -3.456015781e-01 3.90 -3.261373058e-01 3.92 -3.079820400e-01 3.94 -2.910763972e-01 3.96 -2.753535490e-01 3.98 -2.607386619e-01 4.00 -2.471497334e-01 4.02 -2.344994115e-01 4.04 -2.226973285e-01 4.06 -2.116525352e-01 4.08 -2.012757325e-01 4.10 -1.914809191e-01 4.12 -1.821867811e-01 4.14 -1.733188100e-01 4.16 -1.648087984e-01 4.18 -1.565953246e-01 4.20 -1.486241523e-01 4.22 -1.408485429e-01 4.24 -1.332295572e-01 4.26 -1.257363842e-01 4.28 -1.183466918e-01 4.30 -1.110469594e-01 4.32 -1.038327133e-01 4.34 -9.670856412e-02 4.36 -8.968793437e-02 4.38 -8.279237272e-02 4.40 -7.605038657e-02 4.42 -6.949578037e-02 4.44 -6.316556057e-02 4.46 -5.709754459e-02 4.48 -5.132787452e-02 4.50 -4.588867002e-02 4.52 -4.080604869e-02 4.54 -3.609869558e-02 4.56 -3.177708475e-02 4.58 -2.784337460e-02 4.60 -2.429190079e-02 4.62 -2.111012826e-02 4.64 -1.827990742e-02 4.66 -1.577888139e-02 4.68 -1.358189984e-02 4.70 -1.166230347e-02 4.72 -9.992719309e-03 4.74 -8.546605487e-03 4.76 -7.298795504e-03 4.78 -6.225579465e-03 4.80 -5.305054823e-03 4.82 -4.517307500e-03 4.84 -3.844464299e-03 4.86 -3.270654128e-03 4.88 -2.781907467e-03 4.90 -2.366018181e-03 4.92 -2.012385542e-03 4.94 -1.711849411e-03 4.96 -1.456527499e-03 4.98 -1.239660507e-03 5.00 -1.055468578e-03 5.02 -8.990208314e-04 5.04 -7.661185585e-04 5.06 -6.531918704e-04 5.08 -5.572091064e-04 5.10 -4.755980196e-04 5.12 -4.061776248e-04 5.14 -3.470995563e-04 5.16 -2.967978110e-04 5.18 -2.539458172e-04 5.20 -2.174198581e-04 5.22 -1.862679761e-04 5.24 -1.596835813e-04 5.26 -1.369830820e-04 5.28 -1.175869457e-04 5.30 -1.010036742e-04 5.32 -8.681625537e-05 5.34 -7.467071071e-05 5.36 -6.426641788e-05 5.38 -5.534793373e-05 5.40 -4.769808470e-05 5.42 -4.113212793e-05 5.44 -3.549281587e-05 5.46 -3.064622358e-05 5.48 -2.647821961e-05 5.50 -2.289148017e-05 5.52 -1.980296178e-05 5.54 -1.714176101e-05 5.56 -1.484730117e-05 5.58 -1.286779520e-05 5.60 -1.115894189e-05 5.62 -9.682819555e-06 5.64 -8.406946575e-06 5.66 -7.303483190e-06 5.68 -6.348552963e-06 5.70 -5.521665552e-06 5.72 -4.805225397e-06 5.74 -4.184113260e-06 5.76 -3.645329596e-06 5.78 -3.177690434e-06 5.80 -2.771567868e-06 5.82 -2.418668474e-06 5.84 -2.111843999e-06 5.86 -1.844929509e-06 5.88 -1.612604939e-06 5.90 -1.410276579e-06 5.92 -1.233975561e-06 5.94 -1.080270862e-06 5.96 -9.461946981e-07 5.98 -8.291785001e-07 6.00 -7.269979464e-07