# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2Pt # 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 2022-05-24 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 1.271109559e+03 0.90 1.161486451e+03 0.92 1.062564693e+03 0.94 9.731447408e+02 0.96 8.921784854e+02 0.98 8.187506774e+02 1.00 7.520577282e+02 1.02 6.913947371e+02 1.04 6.361394303e+02 1.06 5.857426371e+02 1.08 5.397192983e+02 1.10 4.976378254e+02 1.12 4.591159209e+02 1.14 4.238135521e+02 1.16 3.914267812e+02 1.18 3.616845527e+02 1.20 3.343443731e+02 1.22 3.091888604e+02 1.24 2.860220079e+02 1.26 2.646683038e+02 1.28 2.449697258e+02 1.30 2.267840228e+02 1.32 2.099816383e+02 1.34 1.944459848e+02 1.36 1.800715309e+02 1.38 1.667625336e+02 1.40 1.544320865e+02 1.42 1.430013021e+02 1.44 1.323978623e+02 1.46 1.225562186e+02 1.48 1.134164294e+02 1.50 1.049237993e+02 1.52 9.702837596e+01 1.54 8.968443633e+01 1.56 8.285020662e+01 1.58 7.648717337e+01 1.60 7.055981083e+01 1.62 6.503582424e+01 1.64 5.988545052e+01 1.66 5.508134209e+01 1.68 5.059836279e+01 1.70 4.641336301e+01 1.72 4.250499740e+01 1.74 3.885354414e+01 1.76 3.544083609e+01 1.78 3.225341449e+01 1.80 2.927558761e+01 1.82 2.649911539e+01 1.84 2.391684816e+01 1.86 2.151854979e+01 1.88 1.929293120e+01 1.90 1.722932686e+01 1.92 1.531773243e+01 1.94 1.354872038e+01 1.96 1.191339265e+01 1.98 1.040327933e+01 2.00 9.010434259e+00 2.02 7.727364834e+00 2.04 6.546980948e+00 2.06 5.462575007e+00 2.08 4.467800967e+00 2.10 3.556655530e+00 2.12 2.723431405e+00 2.14 1.962701655e+00 2.16 1.269294060e+00 2.18 6.384098396e-01 2.20 6.591667852e-02 2.22 -4.526833609e-01 2.24 -9.213767879e-01 2.26 -1.343575577e+00 2.28 -1.722948824e+00 2.30 -2.062889326e+00 2.32 -2.366538912e+00 2.34 -2.636667371e+00 2.36 -2.875942961e+00 2.38 -3.086845224e+00 2.40 -3.271674563e+00 2.42 -3.432675047e+00 2.44 -3.571735931e+00 2.46 -3.690527736e+00 2.48 -3.790688168e+00 2.50 -3.873927172e+00 2.52 -3.941470390e+00 2.54 -3.994916502e+00 2.56 -4.035487681e+00 2.58 -4.064315062e+00 2.60 -4.082440958e+00 2.62 -4.090825832e+00 2.64 -4.090354772e+00 2.66 -4.081843530e+00 2.68 -4.066044043e+00 2.70 -4.043649591e+00 2.72 -4.015299520e+00 2.74 -3.981583560e+00 2.76 -3.943041256e+00 2.78 -3.900676386e+00 2.80 -3.854902600e+00 2.82 -3.805676704e+00 2.84 -3.753388269e+00 2.86 -3.698404496e+00 2.88 -3.640602022e+00 2.90 -3.579914379e+00 2.92 -3.517610614e+00 2.94 -3.453862501e+00 2.96 -3.388901109e+00 2.98 -3.322950468e+00 3.00 -3.256217265e+00 3.02 -3.188891576e+00 3.04 -3.121148114e+00 3.06 -3.053147298e+00 3.08 -2.985036243e+00 3.10 -2.916949692e+00 3.12 -2.849010954e+00 3.14 -2.781332571e+00 3.16 -2.714016911e+00 3.18 -2.647157226e+00 3.20 -2.580838243e+00 3.22 -2.515136026e+00 3.24 -2.450111190e+00 3.26 -2.386278436e+00 3.28 -2.323371757e+00 3.30 -2.261283740e+00 3.32 -2.200059648e+00 3.34 -2.139740114e+00 3.36 -2.080361046e+00 3.38 -2.021952467e+00 3.40 -1.964579511e+00 3.42 -1.908724428e+00 3.44 -1.853880833e+00 3.46 -1.800061013e+00 3.48 -1.747281545e+00 3.50 -1.695573948e+00 3.52 -1.644950627e+00 3.54 -1.595389078e+00 3.56 -1.546864007e+00 3.58 -1.499314733e+00 3.60 -1.452669007e+00 3.62 -1.406920714e+00 3.64 -1.362147741e+00 3.66 -1.318433385e+00 3.68 -1.275801966e+00 3.70 -1.234217396e+00 3.72 -1.193676399e+00 3.74 -1.154178147e+00 3.76 -1.115722406e+00 3.78 -1.078272039e+00 3.80 -1.041655624e+00 3.82 -1.005942230e+00 3.84 -9.712137512e-01 3.86 -9.375176690e-01 3.88 -9.048956280e-01 3.90 -8.733769308e-01 3.92 -8.429784885e-01 3.94 -8.138461430e-01 3.96 -7.858605899e-01 3.98 -7.587227090e-01 4.00 -7.322702131e-01 4.02 -7.063879218e-01 4.04 -6.809962079e-01 4.06 -6.560433878e-01 4.08 -6.314994288e-01 4.10 -6.073508094e-01 4.12 -5.836460730e-01 4.14 -5.603675187e-01 4.16 -5.374455905e-01 4.18 -5.147901450e-01 4.20 -4.923651397e-01 4.22 -4.702600445e-01 4.24 -4.485499348e-01 4.26 -4.272957604e-01 4.28 -4.065463360e-01 4.30 -3.863400563e-01 4.32 -3.667063765e-01 4.34 -3.476670869e-01 4.36 -3.292329774e-01 4.38 -3.113838155e-01 4.40 -2.941501527e-01 4.42 -2.775626885e-01 4.44 -2.616401289e-01 4.46 -2.463914012e-01 4.48 -2.318175229e-01 4.50 -2.179131737e-01 4.52 -2.046680140e-01 4.54 -1.920677885e-01 4.56 -1.800952486e-01 4.58 -1.687309144e-01 4.60 -1.579537067e-01 4.62 -1.477414669e-01 4.64 -1.380713817e-01 4.66 -1.289203296e-01 4.68 -1.202651584e-01 4.70 -1.120829066e-01 4.72 -1.043509790e-01 4.74 -9.704728200e-02 4.76 -9.015032745e-02 4.78 -8.363930792e-02 4.80 -7.748128608e-02 4.82 -7.205076591e-02 4.84 -6.707347515e-02 4.86 -6.237224145e-02 4.88 -5.793257734e-02 4.90 -5.374062799e-02 4.92 -4.978316520e-02 4.94 -4.604757729e-02 4.96 -4.252185493e-02 4.98 -3.919457467e-02 5.00 -3.605488055e-02 5.02 -3.309246483e-02 5.04 -3.029754772e-02 5.06 -2.766085558e-02 5.08 -2.517359995e-02 5.10 -2.282745623e-02 5.12 -2.061454291e-02 5.14 -1.852740078e-02 5.16 -1.655897259e-02 5.18 -1.470258344e-02 5.20 -1.295192185e-02 5.22 -1.130102155e-02 5.24 -9.744243579e-03 5.26 -8.276241818e-03 5.28 -6.893130851e-03 5.30 -5.615124461e-03 5.32 -4.967967806e-03 5.34 -4.377524902e-03 5.36 -3.826744348e-03 5.38 -3.309093589e-03 5.40 -2.822634690e-03 5.42 -2.365539778e-03 5.44 -1.936084983e-03 5.46 -1.532644719e-03 5.48 -1.153686284e-03 5.50 -7.977647404e-04 5.52 -4.635179965e-04 5.54 -1.476477137e-04 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