# 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 = Pt3Ta # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 5.474106718e+02 nan nan 1.16 5.095123484e+02 nan nan 1.18 4.743515240e+02 nan nan 1.20 4.416906707e+02 nan nan 1.22 4.113215867e+02 nan nan 1.24 3.830602589e+02 nan nan 1.26 3.567410531e+02 nan nan 1.28 3.322033003e+02 4.856062406e+02 5.466708899e+02 1.30 3.092881291e+02 4.547957690e+02 5.126937781e+02 1.32 2.878522831e+02 4.259735115e+02 4.808665136e+02 1.34 2.677795386e+02 3.989954411e+02 4.510138842e+02 1.36 2.489756766e+02 3.737127819e+02 4.229882657e+02 1.38 2.313568922e+02 3.499792309e+02 3.966686619e+02 1.40 2.148466734e+02 3.276647721e+02 3.719499093e+02 1.42 1.993795795e+02 3.066674675e+02 3.487363671e+02 1.44 1.849004758e+02 2.869125813e+02 3.269411142e+02 1.46 1.713555685e+02 2.683400280e+02 3.064838598e+02 1.48 1.586825237e+02 2.508925324e+02 2.872864222e+02 1.50 1.468080537e+02 2.345115947e+02 2.692686398e+02 1.52 1.356540599e+02 2.191371183e+02 2.523475928e+02 1.54 1.251473333e+02 2.047061181e+02 2.364406223e+02 1.56 1.152275552e+02 1.911519135e+02 2.214689652e+02 1.58 1.058506202e+02 1.784063654e+02 2.073594292e+02 1.60 9.698644608e+01 1.664044406e+02 1.940454057e+02 1.62 8.861301170e+01 1.550880940e+02 1.814685698e+02 1.64 8.071036287e+01 1.444070588e+02 1.695795446e+02 1.66 7.325744180e+01 1.343168775e+02 1.583359750e+02 1.68 6.623224246e+01 1.247768907e+02 1.476995660e+02 1.70 5.961618959e+01 1.157501325e+02 1.376344025e+02 1.72 5.339279319e+01 1.072040714e+02 1.281066319e+02 1.74 4.767443233e+01 9.910986700e+01 1.190842000e+02 1.76 4.248608567e+01 9.143973483e+01 1.105362766e+02 1.78 3.778107706e+01 8.416444035e+01 1.024332506e+02 1.80 3.351485610e+01 7.725296615e+01 9.474793169e+01 1.82 2.964475813e+01 7.067447794e+01 8.745725025e+01 1.84 2.613038912e+01 6.440318733e+01 8.054285315e+01 1.86 2.293448485e+01 5.841951325e+01 7.398956092e+01 1.88 2.002374285e+01 5.272351653e+01 6.778293216e+01 1.90 1.736917662e+01 4.739561704e+01 6.190919131e+01 1.92 1.494592513e+01 4.249168833e+01 5.634803624e+01 1.94 1.273274442e+01 3.799112756e+01 5.109784299e+01 1.96 1.071144124e+01 3.387213020e+01 4.624427585e+01 1.98 8.866391760e+00 3.011121572e+01 4.176753239e+01 2.00 7.184162994e+00 2.668329896e+01 3.763443781e+01 2.02 5.653183114e+00 2.356241605e+01 3.381585664e+01 2.04 4.263389907e+00 2.072264758e+01 3.028585901e+01 2.06 3.005814757e+00 1.813893453e+01 2.702124236e+01 2.08 1.872117191e+00 1.578766490e+01 2.400144903e+01 2.10 8.541488012e-01 1.364701483e+01 2.120867030e+01 2.12 -5.634771848e-02 1.169707258e+01 1.862787504e+01 2.14 -8.678376712e-01 9.919808459e+00 1.624657726e+01 2.16 -1.588907193e+00 8.298975756e+00 1.405427395e+01 2.18 -2.228068048e+00 6.820009421e+00 1.204161594e+01 2.20 -2.793536190e+00 5.469940202e+00 1.019950386e+01 2.22 -3.293031337e+00 4.237303875e+00 8.518368142e+00 2.24 -3.733615986e+00 3.112021914e+00 6.987834108e+00 2.26 -4.121585717e+00 2.085248888e+00 5.596809220e+00 2.28 -4.462422463e+00 1.149199418e+00 4.333868151e+00 2.30 -4.760813648e+00 2.969736729e-01 3.187744049e+00 2.32 -5.020726122e+00 -4.776022769e-01 2.147766181e+00 2.34 -5.245514640e+00 -1.180111262e+00 1.204158246e+00 2.36 -5.438019234e+00 -1.815651471e+00 3.481775436e-01 2.38 -5.600662419e+00 -2.388917233e+00 -4.278856500e-01 2.40 -5.735747310e+00 -2.904261017e+00 -1.130811426e+00 2.42 -5.845385831e+00 -3.365744978e+00 -1.766611968e+00 2.44 -5.931534846e+00 -3.777188898e+00 -2.340705165e+00 2.46 -5.996021577e+00 -4.142218884e+00 -2.858058135e+00 2.48 -6.042812667e+00 -4.464318902e+00 -3.323274185e+00 2.50 -6.075661802e+00 -4.746883353e+00 -3.740620766e+00 2.52 -6.094954692e+00 -4.993261335e+00 -4.114017961e+00 2.54 -6.101169865e+00 -5.206774982e+00 -4.447015952e+00 2.56 -6.094831184e+00 -5.390671729e+00 -4.742784073e+00 2.58 -6.076658026e+00 -5.548014428e+00 -5.004121068e+00 2.60 -6.047610715e+00 -5.681809766e+00 -5.233485173e+00 2.62 -6.008845314e+00 -5.794741957e+00 -5.433037752e+00 2.64 -5.961629402e+00 -5.889094159e+00 -5.604694498e+00 2.66 -5.907239257e+00 -5.966748368e+00 -5.750180696e+00 2.68 -5.846865840e+00 -6.029614338e+00 -5.871079762e+00 2.70 -5.781549984e+00 -6.079859011e+00 -5.968817780e+00 2.72 -5.712152546e+00 -6.119932724e+00 -6.044974459e+00 2.74 -5.639353024e+00 -6.150622309e+00 -6.101225557e+00 2.76 -5.563665755e+00 -6.171822559e+00 -6.139385066e+00 2.78 -5.485464690e+00 -6.183462611e+00 -6.163911856e+00 2.80 -5.405011300e+00 -6.185538757e+00 -6.177636692e+00 2.82 -5.322482316e+00 -6.178106147e+00 -6.181742128e+00 2.84 -5.237994989e+00 -6.161276871e+00 -6.177433782e+00 2.86 -5.151627987e+00 -6.135225339e+00 -6.165689478e+00 2.88 -5.063436997e+00 -6.100200586e+00 -6.147363240e+00 2.90 -4.973465031e+00 -6.056543181e+00 -6.123211944e+00 2.92 -4.881748366e+00 -6.004702254e+00 -6.093851545e+00 2.94 -4.788319341e+00 -5.945246149e+00 -6.059747474e+00 2.96 -4.693207198e+00 -5.878859648e+00 -6.021231478e+00 2.98 -4.596438061e+00 -5.806322623e+00 -5.978532817e+00 3.00 -4.498034697e+00 -5.728469643e+00 -5.931812483e+00 3.02 -4.398016547e+00 -5.646136253e+00 -5.881193153e+00 3.04 -4.296400259e+00 -5.560102608e+00 -5.826781251e+00 3.06 -4.193200850e+00 -5.471046572e+00 -5.768680757e+00 3.08 -4.088433461e+00 -5.379515144e+00 -5.707000032e+00 3.10 -3.982115608e+00 -5.285917511e+00 -5.641853532e+00 3.12 -3.874269730e+00 -5.190536934e+00 -5.573360286e+00 3.14 -3.764925848e+00 -5.093555344e+00 -5.501640696e+00 3.16 -3.654124202e+00 -4.995083578e+00 -5.426812839e+00 3.18 -3.541917896e+00 -4.895191742e+00 -5.348989155e+00 3.20 -3.428375747e+00 -4.793935991e+00 -5.268274157e+00 3.22 -3.313585624e+00 -4.691380013e+00 -5.184763646e+00 3.24 -3.197658622e+00 -4.587610671e+00 -5.098545744e+00 3.26 -3.080734230e+00 -4.482747798e+00 -5.009704023e+00 3.28 -2.962986364e+00 -4.376948403e+00 -4.918322739e+00 3.30 -2.844636177e+00 -4.270405651e+00 -4.824494017e+00 3.32 -2.726144283e+00 -4.163343160e+00 -4.728326443e+00 3.34 -2.608217445e+00 -4.056005491e+00 -4.629954118e+00 3.36 -2.491569512e+00 -3.948646058e+00 -4.529544730e+00 3.38 -2.376898115e+00 -3.841513982e+00 -4.427304891e+00 3.40 -2.264869609e+00 -3.734841445e+00 -4.323480912e+00 3.42 -2.156100053e+00 -3.628832989e+00 -4.218353658e+00 3.44 -2.051134637e+00 -3.523657719e+00 -4.112227113e+00 3.46 -1.950428313e+00 -3.419445796e+00 -4.005411714e+00 3.48 -1.854330468e+00 -3.316329381e+00 -3.898204858e+00 3.50 -1.763075696e+00 -3.214445373e+00 -3.790871930e+00 3.52 -1.676781849e+00 -3.113867313e+00 -3.683631218e+00 3.54 -1.595455278e+00 -3.014613686e+00 -3.576645037e+00 3.56 -1.519002272e+00 -2.916662111e+00 -3.470018240e+00 3.58 -1.447244881e+00 -2.819962304e+00 -3.363803507e+00 3.60 -1.379939130e+00 -2.724447574e+00 -3.258011911e+00 3.62 -1.316793701e+00 -2.630049928e+00 -3.152626742e+00 3.64 -1.257487578e+00 -2.536802518e+00 -3.047618653e+00 3.66 -1.201685641e+00 -2.444829153e+00 -2.942960553e+00 3.68 -1.149051746e+00 -2.354256113e+00 -2.838651016e+00 3.70 -1.099259216e+00 -2.265213318e+00 -2.734884768e+00 3.72 -1.051998984e+00 -2.177836882e+00 -2.632010730e+00 3.74 -1.006985770e+00 -2.092269454e+00 -2.530381013e+00 3.76 -9.639627109e-01 -2.008658384e+00 -2.430348514e+00 3.78 -9.227047740e-01 -1.927151909e+00 -2.332264877e+00 3.80 -8.830211784e-01 -1.847893701e+00 -2.236474465e+00 3.82 -8.447568522e-01 -1.771016347e+00 -2.143305436e+00 3.84 -8.077928063e-01 -1.696634455e+00 -2.053059241e+00 3.86 -7.720451672e-01 -1.624838179e+00 -1.965999952e+00 3.88 -7.374625699e-01 -1.555687933e+00 -1.882344794e+00 3.90 -7.040216771e-01 -1.489210931e+00 -1.802256993e+00 3.92 -6.717207929e-01 -1.425399949e+00 -1.725841714e+00 3.94 -6.405718562e-01 -1.364214483e+00 -1.653145409e+00 3.96 -6.105914315e-01 -1.305584129e+00 -1.584158374e+00 3.98 -5.817916653e-01 -1.249413885e+00 -1.518820088e+00 4.00 -5.541722711e-01 -1.195590841e+00 -1.457026529e+00 4.02 -5.277145498e-01 -1.143991674e+00 -1.398638638e+00 4.04 -5.023781359e-01 -1.094490370e+00 -1.343491124e+00 4.06 -4.781007094e-01 -1.046965571e+00 -1.291400938e+00 4.08 -4.548004553e-01 -1.001307030e+00 -1.242174907e+00 4.10 -4.323806983e-01 -9.574206960e-01 -1.195616234e+00 4.12 -4.107359609e-01 -9.152320809e-01 -1.151529724e+00 4.14 -3.897586912e-01 -8.746874954e-01 -1.109725741e+00 4.16 -3.693460159e-01 -8.357532072e-01 -1.070022997e+00 4.18 -3.494060360e-01 -7.984124601e-01 -1.032250314e+00 4.20 -3.298633190e-01 -7.626607310e-01 -9.962475575e-01 4.22 -3.106633491e-01 -7.284997705e-01 -9.618659011e-01 4.24 -2.917756837e-01 -6.959311603e-01 -9.289676036e-01 4.26 -2.731956568e-01 -6.649501869e-01 -8.974254342e-01 4.28 -2.549443997e-01 -6.355407613e-01 -8.671218693e-01 4.30 -2.370670543e-01 -6.076719136e-01 -8.379481574e-01 4.32 -2.196291595e-01 -5.812961132e-01 -8.098033257e-01 4.34 -2.027113744e-01 -5.563493698e-01 -7.825931863e-01 4.36 -1.864029187e-01 -5.327528287e-01 -7.562293839e-01 4.38 -1.707943341e-01 -5.104154236e-01 -7.306285198e-01 4.40 -1.559702589e-01 -4.892371079e-01 -7.057113745e-01 4.42 -1.420030084e-01 -4.691122269e-01 -6.814022548e-01 4.44 -1.289475651e-01 -4.499326991e-01 -6.576284818e-01 4.46 -1.168384110e-01 -4.315907933e-01 -6.343200417e-01 4.48 -1.056883400e-01 -4.139814087e-01 -6.114094206e-01 4.50 -9.548911920e-02 -3.970038591e-01 -5.888316440e-01 4.52 -8.621365227e-02 -3.805632267e-01 -5.665245385e-01 4.54 -7.781917898e-02 -3.645713863e-01 -5.444292844e-01 4.56 -7.025101934e-02 -3.489478134e-01 -5.224911541e-01 4.58 -6.344642355e-02 -3.336202836e-01 -5.006606173e-01 4.60 -5.733818710e-02 -3.185255483e-01 -4.788946773e-01 4.62 -5.185780875e-02 -3.036100476e-01 -4.571584680e-01 4.64 -4.693807119e-02 -2.888306839e-01 -4.354270496e-01 4.66 -4.251501699e-02 -2.741556434e-01 -4.136873130e-01 4.68 -3.852936798e-02 -2.595652146e-01 -3.919398650e-01 4.70 -3.492743564e-02 -2.450525121e-01 -3.702007198e-01 4.72 -3.166158245e-02 -2.306239879e-01 -3.485025934e-01 4.74 -2.869034860e-02 -2.162995855e-01 -3.268955727e-01 4.76 -2.597817828e-02 -2.021123979e-01 -3.054469394e-01 4.78 -2.349519739e-02 -1.881077018e-01 -2.842399680e-01 4.80 -2.121706036e-02 -1.743412949e-01 -2.633715952e-01 4.82 -1.912384113e-02 -1.608771360e-01 -2.429489732e-01 4.84 -1.719938879e-02 -1.477843462e-01 -2.230850505e-01 4.86 -1.543064751e-02 -1.351337769e-01 -2.038934688e-01 4.88 -1.380697114e-02 -1.229943646e-01 -1.854831704e-01 4.90 -1.231947600e-02 -1.114295794e-01 -1.679531787e-01 4.92 -1.096046632e-02 -1.004942626e-01 -1.513880099e-01 4.94 -9.722954313e-03 -9.023211338e-02 -1.358541051e-01 4.96 -8.600289500e-03 -8.067400512e-02 -1.213975424e-01 4.98 -7.585932715e-03 -7.183721114e-02 -1.080431344e-01 5.00 -6.673284786e-03 -6.372551729e-02 -9.579485464e-02 5.02 -5.855623884e-03 -5.633010754e-02 -8.463740544e-02 5.04 -5.126115527e-03 -4.963104766e-02 -7.453864944e-02 5.06 -4.478362066e-03 -4.359915928e-02 -6.545258850e-02 5.08 -3.906963510e-03 -3.819808368e-02 -5.732258202e-02 5.10 -3.404024014e-03 -3.338638248e-02 -5.008453814e-02 5.12 -2.962137005e-03 -2.911946012e-02 -4.366987375e-02 5.14 -2.574620748e-03 -2.535127582e-02 -3.800810728e-02 5.16 -2.235430436e-03 -2.203594323e-02 -3.302900967e-02 5.18 -1.939092152e-03 -1.912985404e-02 -2.866429124e-02 5.20 -1.680652597e-03 -1.658940750e-02 -2.484889676e-02 5.22 -1.455639105e-03 -1.437356369e-02 -2.152183305e-02 5.24 -1.260025686e-03 -1.244465478e-02 -1.862669620e-02 5.26 -1.090202110e-03 -1.076853227e-02 -1.611245377e-02 5.28 -9.429442714e-04 -9.314632265e-03 -1.393418618e-02 5.30 -8.153849588e-04 -8.054850133e-03 -1.204845544e-02 5.32 -7.049847986e-04 -6.964223725e-03 -1.041675261e-02 5.34 -6.095035000e-04 -6.020739379e-03 -9.005417147e-03 5.36 -5.269717337e-04 -5.205041906e-03 -7.785344523e-03 5.38 -4.556640103e-04 -4.500162927e-03 -6.731078737e-03 5.40 -3.940729030e-04 -3.891267017e-03 -5.820390386e-03 5.42 -3.408848816e-04 -3.365415883e-03 -5.033908518e-03 5.44 -2.949579429e-04 -2.911350969e-03 -4.354786143e-03 5.46 -2.553011332e-04 -2.519294703e-03 -3.768397419e-03 5.48 -2.210559847e-04 -2.180770239e-03 -3.262064860e-03 5.50 -1.914798321e-04 -1.888439206e-03 -2.824814893e-03 5.52 -1.659309280e-04 -1.635956674e-03 -2.447160012e-03 5.54 -1.438552462e-04 -1.417842301e-03 -2.120905037e-03 5.56 -1.247748462e-04 -1.229366469e-03 -1.838979020e-03 5.58 -1.082776602e-04 -1.066450148e-03 -1.595281758e-03 5.60 -9.400856449e-05 -9.255771799e-04 -1.384555189e-03 5.62 -8.166159977e-05 -8.037177294e-04 -1.202268294e-03 5.64 -7.097321087e-05 -6.982616576e-04 -1.044517528e-03 5.66 -6.171638698e-05 -6.069606972e-04 -9.079403889e-04 5.68 -5.369559168e-05 -5.278783659e-04 -7.896405660e-04 5.70 -4.674238379e-05 -4.593466617e-04 -6.871232103e-04 5.72 -4.071163998e-05 -3.999286776e-04 -5.982390546e-04 5.74 -3.547829968e-05 -3.483863662e-04 -5.211362247e-04 5.76 -3.093456274e-05 -3.036527709e-04 -4.542187252e-04 5.78 -2.698747836e-05 -2.648081254e-04 -3.961107044e-04 5.80 -2.355687171e-05 -2.310592935e-04 -3.456257118e-04 5.82 -2.057356156e-05 -2.017220904e-04 -3.017402628e-04 5.84 -1.797782848e-05 -1.762060879e-04 -2.635711141e-04 5.86 -1.571809853e-05 -1.540015549e-04 -2.303557336e-04 5.88 -1.374981207e-05 -1.346682357e-04 -2.014355166e-04 5.90 -1.203445179e-05 -1.178257074e-04 -1.762413627e-04 5.92 -1.053870725e-05 -1.031450926e-04 -1.542812810e-04 5.94 -9.233756753e-06 -9.034193705e-05 -1.351297354e-04 5.96 -8.094649869e-06 -7.917008683e-05 -1.184184863e-04 5.98 -7.099776400e-06 -6.941642315e-05 -1.038287140e-04 6.00 -6.230409487e-06 -6.089633398e-05 -9.108424498e-05