# 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 = Fe2Pb # 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 3.444831711e+02 1.16 3.168389823e+02 1.18 2.915539761e+02 1.20 2.683930513e+02 1.22 2.471479143e+02 1.24 2.276361411e+02 1.26 2.096975240e+02 1.28 1.931906406e+02 1.30 1.779905963e+02 1.32 1.639871616e+02 1.34 1.510821515e+02 1.36 1.391862703e+02 1.38 1.282167517e+02 1.40 1.180966838e+02 1.42 1.087554041e+02 1.44 1.001288054e+02 1.46 9.215902785e+01 1.48 8.479374422e+01 1.50 7.798530123e+01 1.52 7.168977976e+01 1.54 6.586688645e+01 1.56 6.048515379e+01 1.58 5.551652957e+01 1.60 5.092703138e+01 1.62 4.668530973e+01 1.64 4.276300990e+01 1.66 3.913507497e+01 1.68 3.577979751e+01 1.70 3.267849416e+01 1.72 2.981479210e+01 1.74 2.717371815e+01 1.76 2.474087282e+01 1.78 2.250193512e+01 1.80 2.044258013e+01 1.82 1.854873409e+01 1.84 1.680693746e+01 1.86 1.520463787e+01 1.88 1.373032545e+01 1.90 1.237350888e+01 1.92 1.112459089e+01 1.94 9.974723876e+00 1.96 8.915663906e+00 1.98 7.939674666e+00 2.00 7.039487190e+00 2.02 6.208322412e+00 2.04 5.439959808e+00 2.06 4.728819451e+00 2.08 4.070016503e+00 2.10 3.459354266e+00 2.12 2.893257614e+00 2.14 2.368655722e+00 2.16 1.882854768e+00 2.18 1.433425163e+00 2.20 1.018118216e+00 2.22 6.348157310e-01 2.24 2.815050851e-01 2.26 -4.372906669e-02 2.28 -3.427050286e-01 2.30 -6.171409761e-01 2.32 -8.686582061e-01 2.34 -1.098774718e+00 2.36 -1.308914497e+00 2.38 -1.500419347e+00 2.40 -1.674525854e+00 2.42 -1.832388538e+00 2.44 -1.975089140e+00 2.46 -2.103638653e+00 2.48 -2.218979647e+00 2.50 -2.321990741e+00 2.52 -2.413485844e+00 2.54 -2.494022422e+00 2.56 -2.563936990e+00 2.58 -2.623597655e+00 2.60 -2.673404601e+00 2.62 -2.713777039e+00 2.64 -2.745146592e+00 2.66 -2.767945054e+00 2.68 -2.782604981e+00 2.70 -2.789559203e+00 2.72 -2.789245013e+00 2.74 -2.782111221e+00 2.76 -2.768626683e+00 2.78 -2.749289226e+00 2.80 -2.724688639e+00 2.82 -2.695352049e+00 2.84 -2.661796000e+00 2.86 -2.624569406e+00 2.88 -2.584230531e+00 2.90 -2.541321788e+00 2.92 -2.496344572e+00 2.94 -2.449721855e+00 2.96 -2.401790512e+00 2.98 -2.352815285e+00 3.00 -2.302990411e+00 3.02 -2.252446762e+00 3.04 -2.201263262e+00 3.06 -2.149480713e+00 3.08 -2.097116529e+00 3.10 -2.044179212e+00 3.12 -1.990680466e+00 3.14 -1.936652127e+00 3.16 -1.882146873e+00 3.18 -1.827250589e+00 3.20 -1.772083861e+00 3.22 -1.716801866e+00 3.24 -1.661591290e+00 3.26 -1.606664684e+00 3.28 -1.552252755e+00 3.30 -1.498595057e+00 3.32 -1.445929589e+00 3.34 -1.394481959e+00 3.36 -1.344454970e+00 3.38 -1.296019621e+00 3.40 -1.249308035e+00 3.42 -1.204411579e+00 3.44 -1.161377632e+00 3.46 -1.120214090e+00 3.48 -1.080893716e+00 3.50 -1.043360562e+00 3.52 -1.007537097e+00 3.54 -9.733313438e-01 3.56 -9.406434746e-01 3.58 -9.093715560e-01 3.60 -8.794162621e-01 3.62 -8.506845135e-01 3.64 -8.230920574e-01 3.66 -7.965650278e-01 3.68 -7.710405400e-01 3.70 -7.464663826e-01 3.72 -7.227999070e-01 3.74 -7.000062732e-01 3.76 -6.780562629e-01 3.78 -6.569239769e-01 3.80 -6.365846949e-01 3.82 -6.170131436e-01 3.84 -5.981823644e-01 3.86 -5.800632312e-01 3.88 -5.626235149e-01 3.90 -5.458307194e-01 3.92 -5.296522657e-01 3.94 -5.140550898e-01 3.96 -4.990066730e-01 3.98 -4.844758238e-01 4.00 -4.704332073e-01 4.02 -4.568516478e-01 4.04 -4.437062480e-01 4.06 -4.309743706e-01 4.08 -4.186355270e-01 4.10 -4.066694541e-01 4.12 -3.950632626e-01 4.14 -3.837996767e-01 4.16 -3.728649538e-01 4.18 -3.622465513e-01 4.20 -3.519329614e-01 4.22 -3.419135668e-01 4.24 -3.321785145e-01 4.26 -3.227186089e-01 4.28 -3.135252207e-01 4.30 -3.045902105e-01 4.32 -2.959058652e-01 4.34 -2.874648446e-01 4.36 -2.792601371e-01 4.38 -2.712850236e-01 4.40 -2.635330463e-01 4.42 -2.559979842e-01 4.44 -2.486738315e-01 4.46 -2.415547802e-01 4.48 -2.346352057e-01 4.50 -2.279096538e-01 4.52 -2.213728308e-01 4.54 -2.150195941e-01 4.56 -2.088449445e-01 4.58 -2.028440199e-01 4.60 -1.970120891e-01 4.62 -1.913445463e-01 4.64 -1.858369073e-01 4.66 -1.804848045e-01 4.68 -1.752839833e-01 4.70 -1.702302987e-01 4.72 -1.653197118e-01 4.74 -1.605482868e-01 4.76 -1.559121879e-01 4.78 -1.514076765e-01 4.80 -1.470300480e-01 4.82 -1.427780416e-01 4.84 -1.386469358e-01 4.86 -1.346333590e-01 4.88 -1.307340232e-01 4.90 -1.269457214e-01 4.92 -1.232653254e-01 4.94 -1.196897834e-01 4.96 -1.162161177e-01 4.98 -1.128414222e-01 5.00 -1.095628602e-01 5.02 -1.063776618e-01 5.04 -1.032831216e-01 5.06 -1.002765961e-01 5.08 -9.735550113e-02 5.10 -9.451730962e-02 5.12 -9.175954867e-02 5.14 -8.907979707e-02 5.16 -8.647568262e-02 5.18 -8.394487936e-02 5.20 -8.148510480e-02 5.22 -7.909411715e-02 5.24 -7.676971238e-02 5.26 -7.450972134e-02 5.28 -7.231200684e-02 5.30 -7.017446060e-02 5.32 -6.809500034e-02 5.34 -6.607156675e-02 5.36 -6.410212053e-02 5.38 -6.218463952e-02 5.40 -6.031711591e-02 5.42 -5.849755353e-02 5.44 -5.672396551e-02 5.46 -5.499437202e-02 5.48 -5.330679858e-02 5.50 -5.165927475e-02 5.52 -5.004983345e-02 5.54 -4.847651108e-02 5.56 -4.693734860e-02 5.58 -4.543039372e-02 5.60 -4.395370462e-02 5.62 -4.250535530e-02 5.64 -4.108344217e-02 5.66 -3.968609374e-02 5.68 -3.831148246e-02 5.70 -3.695783932e-02 5.72 -3.562347135e-02 5.74 -3.430678228e-02 5.76 -3.300629639e-02 5.78 -3.172068540e-02 5.80 -3.044879818e-02 5.82 -2.918969266e-02 5.84 -2.794266922e-02 5.86 -2.670730421e-02 5.88 -2.548348226e-02 5.90 -2.427142539e-02 5.92 -2.307171669e-02 5.94 -2.188528284e-02 5.96 -2.071327951e-02 5.98 -1.955744165e-02 6.00 -1.841989494e-02