# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2Ni # 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 2026-08-31 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 5.019528133e+06 0.80 4.506672176e+06 0.82 4.043287888e+06 0.84 3.623622060e+06 0.86 3.242651790e+06 0.88 2.896027866e+06 0.90 2.580086080e+06 0.92 2.291559631e+06 0.94 2.027562562e+06 0.96 1.785604934e+06 0.98 1.563445022e+06 1.00 1.359104306e+06 1.02 1.170865526e+06 1.04 9.972484274e+05 1.06 8.369118783e+05 1.08 6.886570395e+05 1.10 5.516963754e+05 1.12 4.300994427e+05 1.14 3.331518323e+05 1.16 2.586859677e+05 1.18 2.013250806e+05 1.20 1.570163299e+05 1.22 1.226954433e+05 1.24 9.605305913e+04 1.26 7.532891056e+04 1.28 5.917689336e+04 1.30 4.656152736e+04 1.32 3.668850347e+04 1.34 2.894585314e+04 1.36 2.286443382e+04 1.38 1.807999658e+04 1.40 1.431032068e+04 1.42 1.133673587e+04 1.44 8.987969448e+03 1.46 7.130601349e+03 1.48 5.660550222e+03 1.50 4.495756268e+03 1.52 3.572017033e+03 1.54 2.839027131e+03 1.56 2.257031395e+03 1.58 1.794590567e+03 1.60 1.427030039e+03 1.62 1.134809125e+03 1.64 9.023623177e+02 1.66 7.173316934e+02 1.68 5.700150715e+02 1.70 4.527434183e+02 1.72 3.594130012e+02 1.74 2.851447301e+02 1.76 2.260523031e+02 1.78 1.790557780e+02 1.80 1.416974654e+02 1.82 1.120154684e+02 1.84 8.844399144e+01 1.86 6.973372632e+01 1.88 5.488824843e+01 1.90 4.311165432e+01 1.92 3.377081757e+01 1.94 2.636261081e+01 1.96 2.048564838e+01 1.98 1.582255878e+01 2.00 1.212083743e+01 2.02 9.178554093e+00 2.04 6.837064822e+00 2.06 4.970920488e+00 2.08 3.480571718e+00 2.10 2.287149511e+00 2.12 1.328273011e+00 2.14 5.547123094e-01 2.16 -7.232144640e-02 2.18 -5.833432143e-01 2.20 -1.002324742e+00 2.22 -1.347984265e+00 2.24 -1.634902274e+00 2.26 -1.874453117e+00 2.28 -2.075509208e+00 2.30 -2.245049776e+00 2.32 -2.388531127e+00 2.34 -2.510220077e+00 2.36 -2.613458184e+00 2.38 -2.700870386e+00 2.40 -2.774529164e+00 2.42 -2.836083177e+00 2.44 -2.886857631e+00 2.46 -2.927913835e+00 2.48 -2.960117760e+00 2.50 -2.984223064e+00 2.52 -3.000879327e+00 2.54 -3.010651458e+00 2.56 -3.013977228e+00 2.58 -3.011303663e+00 2.60 -3.003065228e+00 2.62 -2.989670319e+00 2.64 -2.971506616e+00 2.66 -2.948944743e+00 2.68 -2.922340686e+00 2.70 -2.892037292e+00 2.72 -2.858365115e+00 2.74 -2.821642815e+00 2.76 -2.782177256e+00 2.78 -2.740263423e+00 2.80 -2.696184239e+00 2.82 -2.650210346e+00 2.84 -2.602559079e+00 2.86 -2.553434262e+00 2.88 -2.503067517e+00 2.90 -2.451677892e+00 2.92 -2.399471891e+00 2.94 -2.346643564e+00 2.96 -2.293341204e+00 2.98 -2.239637842e+00 3.00 -2.185635416e+00 3.02 -2.131470296e+00 3.04 -2.077276424e+00 3.06 -2.023177471e+00 3.08 -1.969287238e+00 3.10 -1.915710080e+00 3.12 -1.862541326e+00 3.14 -1.809867709e+00 3.16 -1.757767803e+00 3.18 -1.706312447e+00 3.20 -1.655565174e+00 3.22 -1.605582628e+00 3.24 -1.556414976e+00 3.26 -1.508106305e+00 3.28 -1.460695018e+00 3.30 -1.414214202e+00 3.32 -1.368691996e+00 3.34 -1.324151938e+00 3.36 -1.280613296e+00 3.38 -1.238091394e+00 3.40 -1.196597908e+00 3.42 -1.156141160e+00 3.44 -1.116726391e+00 3.46 -1.078349439e+00 3.48 -1.040914116e+00 3.50 -1.004389374e+00 3.52 -9.687747019e-01 3.54 -9.340676965e-01 3.56 -9.002642308e-01 3.58 -8.673586165e-01 3.60 -8.353437543e-01 3.62 -8.042112749e-01 3.64 -7.739516716e-01 3.66 -7.445544223e-01 3.68 -7.160081050e-01 3.70 -6.883005038e-01 3.72 -6.614187078e-01 3.74 -6.353492035e-01 3.76 -6.100779589e-01 3.78 -5.855905026e-01 3.80 -5.618719961e-01 3.82 -5.389073005e-01 3.84 -5.166810380e-01 3.86 -4.951776479e-01 3.88 -4.743814387e-01 3.90 -4.542766347e-01 3.92 -4.348474197e-01 3.94 -4.160779754e-01 3.96 -3.979525175e-01 3.98 -3.804553276e-01 4.00 -3.635707823e-01 4.02 -3.472833790e-01 4.04 -3.315777599e-01 4.06 -3.164387320e-01 4.08 -3.018512863e-01 4.10 -2.878006140e-01 4.12 -2.742721206e-01 4.14 -2.612514384e-01 4.16 -2.487244378e-01 4.18 -2.366772358e-01 4.20 -2.250962043e-01 4.22 -2.139679764e-01 4.24 -2.032794515e-01 4.26 -1.930177997e-01 4.28 -1.831704647e-01 4.30 -1.737251660e-01 4.32 -1.646699002e-01 4.34 -1.559929417e-01 4.36 -1.476828426e-01 4.38 -1.397284335e-01 4.40 -1.321188185e-01 4.42 -1.248433738e-01 4.44 -1.178917477e-01 4.46 -1.112538576e-01 4.48 -1.049198872e-01 4.50 -9.888016005e-02 4.52 -9.312485065e-02 4.54 -8.764522429e-02 4.56 -8.243279961e-02 4.58 -7.747922945e-02 4.60 -7.277632347e-02 4.62 -6.831606553e-02 4.64 -6.409062691e-02 4.66 -6.009237590e-02 4.68 -5.631388426e-02 4.70 -5.274793130e-02 4.72 -4.938750576e-02 4.74 -4.622580595e-02 4.76 -4.325623857e-02 4.78 -4.047241627e-02 4.80 -3.786815437e-02 4.82 -3.543746684e-02 4.84 -3.317456169e-02 4.86 -3.107035294e-02 4.88 -2.909896044e-02 4.90 -2.724067949e-02 4.92 -2.546572740e-02 4.94 -2.377070583e-02 4.96 -2.215324312e-02 4.98 -2.061103027e-02 5.00 -1.914182031e-02 5.02 -1.774342627e-02 5.04 -1.641371953e-02 5.06 -1.515062962e-02 5.08 -1.395214292e-02 5.10 -1.281630151e-02 5.12 -1.174120189e-02 5.14 -1.072499382e-02 5.16 -9.765815489e-03 5.18 -8.861702449e-03 5.20 -8.011062406e-03 5.22 -7.212354926e-03 5.24 -6.464056371e-03 5.26 -5.764664520e-03 5.28 -5.112702354e-03 5.30 -4.506721120e-03 5.32 -3.945302757e-03 5.34 -3.427061779e-03 5.36 -2.950646678e-03 5.38 -2.514740924e-03 5.40 -2.118063611e-03 5.42 -1.759369802e-03 5.44 -1.437450625e-03 5.46 -1.151133144e-03 5.48 -8.992800613e-04 5.50 -6.807892580e-04 5.52 -4.945932180e-04 5.54 -3.396583485e-04 5.56 -2.149842211e-04 5.58 -1.196027486e-04 5.60 -5.257731511e-05 5.62 -1.300187017e-05 5.64 3.352175699e-11 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