# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ni # implementation = 2025--Sharifi-H--Co-Ni--LAMMPS--ipr1 # composition = Co2Ni # 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 2025-07-01 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 6.891472980e+02 0.92 6.249363526e+02 0.94 5.650174594e+02 0.96 5.094176304e+02 0.98 4.582481527e+02 1.00 4.114621689e+02 1.02 3.689070329e+02 1.04 3.303627186e+02 1.06 2.955697100e+02 1.08 2.642490068e+02 1.10 2.361162114e+02 1.12 2.108912145e+02 1.14 1.883046300e+02 1.16 1.681018402e+02 1.18 1.500453181e+02 1.20 1.339157147e+02 1.22 1.195120803e+02 1.24 1.066514980e+02 1.26 9.516832836e+01 1.28 8.491321277e+01 1.30 7.575194543e+01 1.32 6.756428549e+01 1.34 6.024276484e+01 1.36 5.369152715e+01 1.38 4.782521884e+01 1.40 4.256794861e+01 1.42 3.785232174e+01 1.44 3.361855128e+01 1.46 2.981364735e+01 1.48 2.639068075e+01 1.50 2.330811730e+01 1.52 2.052921934e+01 1.54 1.802150784e+01 1.56 1.575628092e+01 1.58 1.370818415e+01 1.60 1.185482710e+01 1.62 1.017644194e+01 1.64 8.655579648e+00 1.66 7.276839861e+00 1.68 6.026631202e+00 1.70 4.892958475e+00 1.72 3.865233833e+00 1.74 2.934109106e+00 1.76 2.091299389e+00 1.78 1.329341310e+00 1.80 6.414003565e-01 1.82 2.119948333e-02 1.84 -5.370258726e-01 1.86 -1.038569272e+00 1.88 -1.488291420e+00 1.90 -1.890655103e+00 1.92 -2.249757313e+00 1.94 -2.569358776e+00 1.96 -2.852911023e+00 1.98 -3.103581327e+00 2.00 -3.324275602e+00 2.02 -3.517659432e+00 2.04 -3.686177456e+00 2.06 -3.832071158e+00 2.08 -3.957395234e+00 2.10 -4.064032675e+00 2.12 -4.153708608e+00 2.14 -4.228003052e+00 2.16 -4.288362660e+00 2.18 -4.336111248e+00 2.20 -4.372457931e+00 2.22 -4.398507813e+00 2.24 -4.415271594e+00 2.26 -4.423673238e+00 2.28 -4.424557025e+00 2.30 -4.418693700e+00 2.32 -4.406774341e+00 2.34 -4.389414979e+00 2.36 -4.367178651e+00 2.38 -4.340580713e+00 2.40 -4.310092640e+00 2.42 -4.276145532e+00 2.44 -4.239133353e+00 2.46 -4.199424122e+00 2.48 -4.157900071e+00 2.50 -4.115359470e+00 2.52 -4.069212560e+00 2.54 -4.021515566e+00 2.56 -3.972494607e+00 2.58 -3.922355264e+00 2.60 -3.871284271e+00 2.62 -3.819451077e+00 2.64 -3.767009275e+00 2.66 -3.714097935e+00 2.68 -3.660842814e+00 2.70 -3.607357482e+00 2.72 -3.553744352e+00 2.74 -3.500095632e+00 2.76 -3.446494194e+00 2.78 -3.393014383e+00 2.80 -3.339722747e+00 2.82 -3.286678721e+00 2.84 -3.233935246e+00 2.86 -3.181539344e+00 2.88 -3.129532644e+00 2.90 -3.077951863e+00 2.92 -3.026829252e+00 2.94 -2.976193006e+00 2.96 -2.926067633e+00 2.98 -2.876474303e+00 3.00 -2.827431161e+00 3.02 -2.778953618e+00 3.04 -2.731054614e+00 3.06 -2.683744859e+00 3.08 -2.637033058e+00 3.10 -2.590926111e+00 3.12 -2.545429294e+00 3.14 -2.500546433e+00 3.16 -2.456280050e+00 3.18 -2.412631507e+00 3.20 -2.369601124e+00 3.22 -2.327188301e+00 3.24 -2.285391615e+00 3.26 -2.244208918e+00 3.28 -2.203637418e+00 3.30 -2.163673758e+00 3.32 -2.124314084e+00 3.34 -2.085554112e+00 3.36 -2.047389180e+00 3.38 -2.009814304e+00 3.40 -1.972824224e+00 3.42 -1.936413445e+00 3.44 -1.900576276e+00 3.46 -1.865306866e+00 3.48 -1.830599231e+00 3.50 -1.796447284e+00 3.52 -1.762844857e+00 3.54 -1.729785719e+00 3.56 -1.697263599e+00 3.58 -1.665272198e+00 3.60 -1.633805198e+00 3.62 -1.602856278e+00 3.64 -1.572419118e+00 3.66 -1.542487405e+00 3.68 -1.513054842e+00 3.70 -1.484115145e+00 3.72 -1.455662050e+00 3.74 -1.427689315e+00 3.76 -1.400190719e+00 3.78 -1.373160066e+00 3.80 -1.346591185e+00 3.82 -1.320477934e+00 3.84 -1.294814203e+00 3.86 -1.269593916e+00 3.88 -1.244811038e+00 3.90 -1.220459578e+00 3.92 -1.196533595e+00 3.94 -1.173027206e+00 3.96 -1.149934590e+00 3.98 -1.127249992e+00 4.00 -1.104967735e+00 4.02 -1.083082216e+00 4.04 -1.061587915e+00 4.06 -1.040479398e+00 4.08 -1.019751311e+00 4.10 -9.993983871e-01 4.12 -9.794154409e-01 4.14 -9.597973646e-01 4.16 -9.405391243e-01 4.18 -9.216357542e-01 4.20 -9.030823493e-01 4.22 -8.848740584e-01 4.24 -8.670060763e-01 4.26 -8.492567509e-01 4.28 -8.270825909e-01 4.30 -7.846881452e-01 4.32 -7.028277268e-01 4.34 -6.709279866e-01 4.36 -6.575745851e-01 4.38 -6.444528448e-01 4.40 -6.315597345e-01 4.42 -6.188921980e-01 4.44 -6.064471553e-01 4.46 -5.942215056e-01 4.48 -5.822121312e-01 4.50 -5.704159014e-01 4.52 -5.588296785e-01 4.54 -5.474503228e-01 4.56 -5.362746994e-01 4.58 -5.252996841e-01 4.60 -5.145221699e-01 4.62 -5.039390730e-01 4.64 -4.935473385e-01 4.66 -4.833439455e-01 4.68 -4.733259116e-01 4.70 -4.634902966e-01 4.72 -4.538342055e-01 4.74 -4.443547902e-01 4.76 -4.350492515e-01 4.78 -4.259148387e-01 4.80 -4.169488503e-01 4.82 -4.081486325e-01 4.84 -3.995115788e-01 4.86 -3.910351275e-01 4.88 -3.827167605e-01 4.90 -3.745540010e-01 4.92 -3.654831600e-01 4.94 -3.422167555e-01 4.96 -2.727924966e-01 4.98 -1.314119612e-01 5.00 -5.881194461e-23 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