# 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 = Ni2Pb # 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 2.471381675e+02 1.16 2.284901111e+02 1.18 2.113190884e+02 1.20 1.954951795e+02 1.22 1.809016791e+02 1.24 1.674323693e+02 1.26 1.549903277e+02 1.28 1.434880000e+02 1.30 1.328467139e+02 1.32 1.229958941e+02 1.34 1.138722978e+02 1.36 1.054185666e+02 1.38 9.758164836e+01 1.40 9.031242341e+01 1.42 8.356616565e+01 1.44 7.730262729e+01 1.46 7.148548178e+01 1.48 6.608171307e+01 1.50 6.106123309e+01 1.52 5.639818689e+01 1.54 5.207621625e+01 1.56 4.807086534e+01 1.58 4.435708378e+01 1.60 4.091117496e+01 1.62 3.771137396e+01 1.64 3.473830468e+01 1.66 3.197500775e+01 1.68 2.940649150e+01 1.70 2.701910070e+01 1.72 2.480000305e+01 1.74 2.273698550e+01 1.76 2.081856737e+01 1.78 1.903425482e+01 1.80 1.737467818e+01 1.82 1.583150958e+01 1.84 1.439722166e+01 1.86 1.306484401e+01 1.88 1.182779166e+01 1.90 1.067975341e+01 1.92 9.614630478e+00 1.94 8.626543223e+00 1.96 7.709874568e+00 1.98 6.859344506e+00 2.00 6.070068589e+00 2.02 5.337580172e+00 2.04 4.657817349e+00 2.06 4.027094613e+00 2.08 3.442074410e+00 2.10 2.899736881e+00 2.12 2.397348310e+00 2.14 1.932414256e+00 2.16 1.502627699e+00 2.18 1.105816102e+00 2.20 7.398958942e-01 2.22 4.028451791e-01 2.24 9.269920403e-02 2.26 -1.924322059e-01 2.28 -4.543385598e-01 2.30 -6.946799269e-01 2.32 -9.149946566e-01 2.34 -1.116712838e+00 2.36 -1.301184159e+00 2.38 -1.469692470e+00 2.40 -1.623457257e+00 2.42 -1.763621873e+00 2.44 -1.891084054e+00 2.46 -2.006413037e+00 2.48 -2.110142596e+00 2.50 -2.202790695e+00 2.52 -2.284853056e+00 2.54 -2.356802214e+00 2.56 -2.419089980e+00 2.58 -2.472152044e+00 2.60 -2.516414349e+00 2.62 -2.552300600e+00 2.64 -2.580246255e+00 2.66 -2.600705499e+00 2.68 -2.614168157e+00 2.70 -2.621169013e+00 2.72 -2.622291358e+00 2.74 -2.618159448e+00 2.76 -2.609417987e+00 2.78 -2.596700669e+00 2.80 -2.580597502e+00 2.82 -2.561623053e+00 2.84 -2.540202280e+00 2.86 -2.516672944e+00 2.88 -2.491333941e+00 2.90 -2.464343251e+00 2.92 -2.435800211e+00 2.94 -2.405786458e+00 2.96 -2.374375896e+00 2.98 -2.341641083e+00 3.00 -2.307656900e+00 3.02 -2.272502406e+00 3.04 -2.236255986e+00 3.06 -2.198993109e+00 3.08 -2.160800180e+00 3.10 -2.121776314e+00 3.12 -2.082032507e+00 3.14 -2.041695533e+00 3.16 -2.000898739e+00 3.18 -1.959783610e+00 3.20 -1.918493351e+00 3.22 -1.877166945e+00 3.24 -1.835933234e+00 3.26 -1.794905947e+00 3.28 -1.754180469e+00 3.30 -1.713832618e+00 3.32 -1.673919271e+00 3.34 -1.634480301e+00 3.36 -1.595541181e+00 3.38 -1.557115677e+00 3.40 -1.519207955e+00 3.42 -1.481815756e+00 3.44 -1.444929937e+00 3.46 -1.408536994e+00 3.48 -1.372619642e+00 3.50 -1.337157695e+00 3.52 -1.302129007e+00 3.54 -1.267510491e+00 3.56 -1.233279263e+00 3.58 -1.199413861e+00 3.60 -1.165895493e+00 3.62 -1.132709270e+00 3.64 -1.099845352e+00 3.66 -1.067299989e+00 3.68 -1.035076393e+00 3.70 -1.003185458e+00 3.72 -9.716462888e-01 3.74 -9.404865445e-01 3.76 -9.097425870e-01 3.78 -8.794593746e-01 3.80 -8.496900112e-01 3.82 -8.204947913e-01 3.84 -7.919395498e-01 3.86 -7.640931656e-01 3.88 -7.370241928e-01 3.90 -7.107968043e-01 3.92 -6.854664605e-01 3.94 -6.610758779e-01 3.96 -6.376518984e-01 3.98 -6.152037211e-01 4.00 -5.937227031e-01 4.02 -5.731836370e-01 4.04 -5.535471758e-01 4.06 -5.347629435e-01 4.08 -5.167728587e-01 4.10 -4.995128252e-01 4.12 -4.829215659e-01 4.14 -4.669331870e-01 4.16 -4.514855640e-01 4.18 -4.365197082e-01 4.20 -4.219805601e-01 4.22 -4.078175443e-01 4.24 -3.939850021e-01 4.26 -3.804425943e-01 4.28 -3.671557399e-01 4.30 -3.540961213e-01 4.32 -3.412422506e-01 4.34 -3.285800535e-01 4.36 -3.161033937e-01 4.38 -3.038144288e-01 4.40 -2.917236725e-01 4.42 -2.798496395e-01 4.44 -2.682179789e-01 4.46 -2.568600531e-01 4.48 -2.458110004e-01 4.50 -2.351074061e-01 4.52 -2.247847829e-01 4.54 -2.148751154e-01 4.56 -2.054047263e-01 4.58 -1.963926803e-01 4.60 -1.878498543e-01 4.62 -1.797787185e-01 4.64 -1.721737726e-01 4.66 -1.650224855e-01 4.68 -1.583065590e-01 4.70 -1.520033604e-01 4.72 -1.460873240e-01 4.74 -1.405303304e-01 4.76 -1.353052134e-01 4.78 -1.303855435e-01 4.80 -1.257445275e-01 4.82 -1.213600647e-01 4.84 -1.172082289e-01 4.86 -1.132682807e-01 4.88 -1.095214584e-01 4.90 -1.059509378e-01 4.92 -1.025417279e-01 4.94 -9.928053116e-02 4.96 -9.615558546e-02 4.98 -9.315650123e-02 5.00 -9.027410280e-02 5.02 -8.750027893e-02 5.04 -8.482784548e-02 5.06 -8.225042178e-02 5.08 -7.976232059e-02 5.10 -7.735845152e-02 5.12 -7.503423661e-02 5.14 -7.278553733e-02 5.16 -7.060859148e-02 5.18 -6.849995900e-02 5.20 -6.645647551e-02 5.22 -6.447521241e-02 5.24 -6.255344285e-02 5.26 -6.068861246e-02 5.28 -5.887831437e-02 5.30 -5.712026765e-02 5.32 -5.541229886e-02 5.34 -5.375232607e-02 5.36 -5.213834510e-02 5.38 -5.056841760e-02 5.40 -4.904066071e-02 5.42 -4.755323816e-02 5.44 -4.610435260e-02 5.46 -4.469223902e-02 5.48 -4.331515934e-02 5.50 -4.197139789e-02 5.52 -4.065925807e-02 5.54 -3.937706000e-02 5.56 -3.812313933e-02 5.58 -3.689584735e-02 5.60 -3.569355248e-02 5.62 -3.451464335e-02 5.64 -3.335753335e-02 5.66 -3.222066746e-02 5.68 -3.110253110e-02 5.70 -3.000166135e-02 5.72 -2.891666061e-02 5.74 -2.784621291e-02 5.76 -2.678910282e-02 5.78 -2.574423700e-02 5.80 -2.471066791e-02 5.82 -2.368761951e-02 5.84 -2.267451407e-02 5.86 -2.167099914e-02 5.88 -2.067697355e-02 5.90 -1.969261083e-02 5.92 -1.871837823e-02 5.94 -1.775503094e-02 5.96 -1.680354992e-02 5.98 -1.586533405e-02 6.00 -1.494209012e-02