# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Proville-L-Rodney-D-Marinica-M-C--Fe # implementation = 2012--Proville-L--Fe--LAMMPS--ipr1 # composition = Fe # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 1.769280802e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.567390513e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.391229451e+03 nan 0.76 nan nan nan nan nan 1.100261845e+03 nan nan 1.237397149e+03 nan 0.78 nan nan nan nan nan 9.821550193e+02 nan nan 1.102631008e+03 nan 0.80 nan nan nan nan nan 8.781028465e+02 nan nan 9.842976300e+02 nan 0.82 nan nan nan nan nan 7.864079668e+02 nan nan 8.800248817e+02 nan 0.84 nan nan nan nan nan 7.050862409e+02 nan nan 7.882714422e+02 nan 0.86 nan nan nan 1.709823347e+03 1.709857491e+03 6.327576157e+02 nan nan 7.072194320e+02 1.065169495e+03 0.88 nan 9.195753347e+02 nan 1.545007462e+03 1.545149848e+03 5.684574212e+02 nan nan 6.355025507e+02 9.593737262e+02 0.90 nan 8.280709441e+02 nan 1.397832363e+03 1.398034917e+03 5.112862817e+02 8.668516622e+02 nan 5.716465871e+02 8.653202632e+02 0.92 nan 7.466057878e+02 nan 1.266504342e+03 1.266610274e+03 4.603686688e+02 7.823495581e+02 nan 5.147337585e+02 7.820861856e+02 0.94 nan 6.738719504e+02 nan 1.148677225e+03 1.148721655e+03 4.149331423e+02 7.072709677e+02 nan 4.638256004e+02 7.076458825e+02 0.96 nan 6.088903589e+02 nan 1.042897756e+03 1.042910177e+03 3.742191430e+02 6.401319343e+02 nan 4.182059433e+02 6.410042823e+02 0.98 9.478491523e+02 5.508181260e+02 8.306780172e+02 9.478318182e+02 9.478558922e+02 3.376123589e+02 5.802570261e+02 8.648961971e+02 3.773112398e+02 5.811711522e+02 1.00 8.621883386e+02 4.988568991e+02 7.546987625e+02 8.622402071e+02 8.623126095e+02 3.047008864e+02 5.264981344e+02 7.862878318e+02 3.406303313e+02 5.272244285e+02 1.02 7.853759487e+02 4.524603965e+02 6.865732097e+02 7.854191610e+02 7.854456253e+02 2.751636178e+02 4.781690123e+02 7.156567932e+02 3.077028926e+02 4.787270686e+02 1.04 7.161608172e+02 4.107445503e+02 6.250749981e+02 7.161661872e+02 7.161157927e+02 2.486023987e+02 4.345964956e+02 6.520505102e+02 2.781196937e+02 4.349869924e+02 1.06 6.537236378e+02 3.731024395e+02 5.700039236e+02 6.537854454e+02 6.537675351e+02 2.249605489e+02 3.953199378e+02 5.947219729e+02 2.515401407e+02 3.955304806e+02 1.08 5.973106244e+02 3.392116744e+02 5.204026281e+02 5.974050144e+02 5.974280251e+02 2.037891387e+02 3.597622003e+02 5.429810997e+02 2.275900626e+02 3.598769689e+02 1.10 5.462328474e+02 3.086787375e+02 4.755314841e+02 5.462977468e+02 5.463251445e+02 1.847702250e+02 3.275637500e+02 4.961742873e+02 2.059548281e+02 3.275832296e+02 1.12 4.999815141e+02 2.810628519e+02 4.349182582e+02 4.999653130e+02 4.999718601e+02 1.677067303e+02 2.983757172e+02 4.538745915e+02 1.864204349e+02 2.982953397e+02 1.14 4.580370794e+02 2.560927310e+02 3.981435781e+02 4.579304029e+02 4.579101253e+02 1.523954548e+02 2.718533276e+02 4.155449832e+02 1.688061047e+02 2.716734436e+02 1.16 4.199650716e+02 2.333788987e+02 3.648202242e+02 4.197954254e+02 4.197494200e+02 1.386359988e+02 2.476982604e+02 3.809836218e+02 1.528464951e+02 2.474754455e+02 1.18 3.857667085e+02 2.127203924e+02 3.345802636e+02 3.855526812e+02 3.854387626e+02 1.262604121e+02 2.256810383e+02 3.494850118e+02 1.383784754e+02 2.256423057e+02 1.20 3.544153679e+02 1.938668681e+02 3.070401135e+02 3.542574452e+02 3.541269710e+02 1.151114472e+02 2.056166361e+02 3.206528685e+02 1.252550655e+02 2.057563724e+02 1.22 3.256566399e+02 1.766582829e+02 2.817925741e+02 3.256079303e+02 3.255091445e+02 1.049898310e+02 1.873077615e+02 2.942621205e+02 1.133228798e+02 1.876260694e+02 1.24 2.993052259e+02 1.609457418e+02 2.587694665e+02 2.993778951e+02 2.993574928e+02 9.598409251e+01 1.706875039e+02 2.701174419e+02 1.025545034e+02 1.710856461e+02 1.26 2.751743956e+02 1.465658614e+02 2.376032387e+02 2.753313338e+02 2.753937603e+02 8.782208655e+01 1.555034650e+02 2.480195522e+02 9.281049604e+01 1.559862094e+02 1.28 2.530665811e+02 1.333701768e+02 2.180522805e+02 2.532642664e+02 2.533890160e+02 8.031561938e+01 1.416285624e+02 2.277905244e+02 8.393046972e+01 1.421963142e+02 1.30 2.328023545e+02 1.212445937e+02 2.000437978e+02 2.330095059e+02 2.331755890e+02 7.343459312e+01 1.289555159e+02 2.092648901e+02 7.584506646e+01 1.296098310e+02 1.32 2.142189477e+02 1.101071692e+02 1.834869344e+02 2.144097190e+02 2.145948895e+02 6.715120025e+01 1.173689501e+02 1.922736712e+02 6.847181594e+01 1.181210885e+02 1.34 1.971681315e+02 9.987592342e+01 1.682745152e+02 1.973153729e+02 1.974918855e+02 6.142944945e+01 1.067599428e+02 1.766574334e+02 6.172625247e+01 1.076275500e+02 1.36 1.814904294e+02 9.046593822e+01 1.542946242e+02 1.815728670e+02 1.817118806e+02 5.622460975e+01 9.700757839e+01 1.622879563e+02 5.572058813e+01 9.802918648e+01 1.38 1.670215282e+02 8.180120415e+01 1.414356239e+02 1.670355256e+02 1.671176006e+02 5.148284234e+01 8.814876385e+01 1.489955539e+02 5.025230518e+01 8.922586889e+01 1.40 1.535996654e+02 7.382476309e+01 1.295955527e+02 1.535602329e+02 1.535833407e+02 4.715102281e+01 8.008422523e+01 1.366809981e+02 4.528198388e+01 8.109076941e+01 1.42 1.411477559e+02 6.649280741e+01 1.186808927e+02 1.410815028e+02 1.410565177e+02 4.318137013e+01 7.265372566e+01 1.252939634e+02 4.077357053e+01 7.359614442e+01 1.44 1.297102589e+02 5.976700581e+01 1.086082399e+02 1.296378558e+02 1.295778108e+02 3.952641023e+01 6.580150426e+01 1.148435217e+02 3.668655399e+01 6.689539097e+01 1.46 1.191109314e+02 5.360243399e+01 9.929892898e+01 1.190375689e+02 1.189512222e+02 3.613977239e+01 5.947467333e+01 1.051775346e+02 3.297487666e+01 6.069556692e+01 1.48 1.092989285e+02 4.794730262e+01 9.068155835e+01 1.092198826e+02 1.091140435e+02 3.297942371e+01 5.363100177e+01 9.623461928e+01 2.959744422e+01 5.497842001e+01 1.50 1.002114720e+02 4.274829668e+01 8.269045815e+01 1.001257749e+02 1.000090204e+02 3.001472619e+01 4.824454041e+01 8.795105925e+01 2.652426611e+01 4.971721108e+01 1.52 9.178643043e+01 3.796057355e+01 7.527825074e+01 9.169971684e+01 9.158255162e+01 2.723820029e+01 4.329651978e+01 8.026823091e+01 2.372980876e+01 4.488845893e+01 1.54 8.397009761e+01 3.354812064e+01 6.840824500e+01 8.389010583e+01 8.378352925e+01 2.464894013e+01 3.876595615e+01 7.313096794e+01 2.118761598e+01 4.047352530e+01 1.56 7.670901729e+01 2.948236220e+01 6.204702091e+01 7.664408825e+01 7.655962721e+01 2.224527274e+01 3.462992508e+01 6.649062894e+01 1.886907914e+01 3.645128604e+01 1.58 6.995095089e+01 2.574500779e+01 5.616002933e+01 6.990952970e+01 6.985708880e+01 2.002130619e+01 3.085427320e+01 6.030804755e+01 1.674454281e+01 3.279709711e+01 1.60 6.364653678e+01 2.232284004e+01 5.070882752e+01 6.363890805e+01 6.362639735e+01 1.796535556e+01 2.740289627e+01 5.455581772e+01 1.478580001e+01 2.948194293e+01 1.62 5.776763570e+01 1.919086266e+01 4.565643745e+01 5.779920563e+01 5.782998407e+01 1.606638651e+01 2.432721681e+01 4.921682637e+01 1.296736510e+01 2.647746787e+01 1.64 5.229694516e+01 1.636916092e+01 4.096426680e+01 5.236587432e+01 5.243684660e+01 1.431274499e+01 2.151950716e+01 4.427279631e+01 1.132559027e+01 2.375290518e+01 1.66 4.721860689e+01 1.391269688e+01 3.660396749e+01 4.731759629e+01 4.742104344e+01 1.269336927e+01 1.894273283e+01 3.970269205e+01 9.840359922e+00 2.127384654e+01 1.68 4.251749555e+01 1.169398801e+01 3.255458452e+01 4.263408229e+01 4.275932562e+01 1.119740407e+01 1.658367003e+01 3.548177808e+01 8.474686939e+00 1.900581291e+01 1.70 3.816836695e+01 9.696554792e+00 2.880063292e+01 3.828976972e+01 3.842540740e+01 9.817798582e+00 1.443358913e+01 3.158373531e+01 7.221029317e+00 1.691613073e+01 1.72 3.414333395e+01 7.905590483e+00 2.532210971e+01 3.426044146e+01 3.439612038e+01 8.549887476e+00 1.248291830e+01 2.798707402e+01 6.070178554e+00 1.497595526e+01 1.74 3.041854341e+01 6.306362070e+00 2.214236318e+01 3.052590193e+01 3.065245031e+01 7.386244189e+00 1.072051771e+01 2.467448276e+01 5.012319153e+00 1.316829989e+01 1.76 2.697638143e+01 4.877381907e+00 1.930343209e+01 2.707016355e+01 2.717892852e+01 6.320466971e+00 9.133036206e+00 2.163211249e+01 4.039975969e+00 1.148736476e+01 1.78 2.380483486e+01 3.592664570e+00 1.669417803e+01 2.388007893e+01 2.396252191e+01 5.345441924e+00 7.704914473e+00 1.884638539e+01 3.149197953e+00 9.930827334e+00 1.80 2.089209451e+01 2.494667291e+00 1.430099454e+01 2.094313192e+01 2.099277610e+01 4.452651890e+00 6.419911288e+00 1.630132931e+01 2.336945430e+00 8.494669599e+00 1.82 1.822564074e+01 1.583806197e+00 1.211140266e+01 1.824681413e+01 1.826031316e+01 3.633785382e+00 5.263059283e+00 1.398118249e+01 1.600108343e+00 7.171512696e+00 1.84 1.578940317e+01 7.697476835e-01 1.011452115e+01 1.577737405e+01 1.575482366e+01 2.881369227e+00 4.219712056e+00 1.186917576e+01 9.351758204e-01 5.949688101e+00 1.86 1.356257290e+01 4.276424978e-02 8.303064126e+00 1.351867111e+01 1.346414961e+01 2.190918453e+00 3.273915168e+00 9.948153637e+00 3.375438908e-01 4.817639296e+00 1.88 1.152507773e+01 -6.026724324e-01 6.672749746e+00 1.145428477e+01 1.137460643e+01 1.560624355e+00 2.412323633e+00 8.201208948e+00 -1.979867360e-01 3.765430431e+00 1.90 9.659872419e+00 -1.171988415e+00 5.216275641e+00 9.568803168e+00 9.471513330e+00 9.893576038e-01 1.650200094e+00 6.611430391e+00 -6.772699450e-01 2.786109289e+00 1.92 7.957228879e+00 -1.671508022e+00 3.926368963e+00 7.852455017e+00 7.744240217e+00 4.764565436e-01 9.671628643e-01 5.152623541e+00 -1.106803276e+00 1.880306118e+00 1.94 6.407863724e+00 -2.107932097e+00 2.792234693e+00 6.295521722e+00 6.182292157e+00 1.947307396e-02 3.338856607e-01 3.814865387e+00 -1.491354243e+00 1.049630619e+00 1.96 4.998791357e+00 -2.489272701e+00 1.798577517e+00 4.884711577e+00 4.771766745e+00 -3.864455401e-01 -2.555235574e-01 2.719773048e+00 -1.835568142e+00 2.938444553e-01 1.98 3.699829508e+00 -2.824045591e+00 9.187722730e-01 3.589738351e+00 3.481895993e+00 -7.518240003e-01 -8.100854634e-01 1.740995331e+00 -2.146628817e+00 -3.966644474e-01 2.00 2.502682146e+00 -3.114322151e+00 1.415133156e-01 2.402254856e+00 2.304295360e+00 -1.079497036e+00 -1.331029110e+00 8.476494433e-01 -2.424800302e+00 -1.025327183e+00 2.02 1.593394597e+00 -3.329755284e+00 -4.082765405e-01 1.507841660e+00 1.424371028e+00 -1.271336632e+00 -1.739280374e+00 1.021862966e-01 -2.598380411e+00 -1.479510591e+00 2.04 7.970192533e-01 -3.498444915e+00 -8.645503904e-01 7.306900941e-01 6.657471000e-01 -1.418204302e+00 -2.103028332e+00 -5.587395659e-01 -2.731427482e+00 -1.865289583e+00 2.06 7.429719940e-02 -3.627339819e+00 -1.263726733e+00 3.043584442e-02 -1.275231920e-02 -1.541098097e+00 -2.435124242e+00 -1.151328884e+00 -2.838046512e+00 -2.207082433e+00 2.08 -5.795412417e-01 -3.720391039e+00 -1.617445806e+00 -5.988565505e-01 -6.179576318e-01 -1.642994171e+00 -2.734518088e+00 -1.678415776e+00 -2.920128120e+00 -2.508313209e+00 2.10 -1.168600993e+00 -3.783181659e+00 -1.935322891e+00 -1.162339441e+00 -1.156045323e+00 -1.726481801e+00 -2.999810205e+00 -2.141835718e+00 -2.979996945e+00 -2.771889054e+00 2.12 -1.695597064e+00 -3.821531955e+00 -2.222990084e+00 -1.663884707e+00 -1.632172284e+00 -1.794326434e+00 -3.230444316e+00 -2.542748805e+00 -3.019911460e+00 -3.000098966e+00 2.14 -2.160709550e+00 -3.841263656e+00 -2.483934362e+00 -2.105484613e+00 -2.050259676e+00 -1.849463039e+00 -3.427790628e+00 -2.881971024e+00 -3.042255392e+00 -3.193844877e+00 2.16 -2.563209265e+00 -3.847888757e+00 -2.721218311e+00 -2.488425349e+00 -2.413641433e+00 -1.894805211e+00 -3.593567329e+00 -3.161328355e+00 -3.049418602e+00 -3.352648125e+00 2.18 -2.903753975e+00 -3.844632854e+00 -2.937929411e+00 -2.815008833e+00 -2.726263692e+00 -1.933205480e+00 -3.729442937e+00 -3.384559944e+00 -3.043568664e+00 -3.477147265e+00 2.20 -3.183975735e+00 -3.833304867e+00 -3.137755396e+00 -3.088211338e+00 -2.992446940e+00 -1.967428878e+00 -3.837171388e+00 -3.556622868e+00 -3.026491077e+00 -3.568972604e+00 2.22 -3.406772304e+00 -3.815926693e+00 -3.322453433e+00 -3.311224029e+00 -3.215675754e+00 -1.998943734e+00 -3.918413359e+00 -3.683461156e+00 -2.999808696e+00 -3.630227271e+00 2.24 -3.577988135e+00 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