# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Fe # implementation = 2004--Zhou-X-W--Fe--LAMMPS--ipr2 # 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 nan nan 0.72 nan nan nan nan nan nan nan nan 1.520336381e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.353070416e+03 nan 0.76 nan nan nan nan nan 1.053180200e+03 nan nan 1.205666503e+03 nan 0.78 nan nan nan nan nan 9.422667545e+02 nan nan 1.075509214e+03 nan 0.80 nan nan nan nan nan 8.440250074e+02 nan nan 9.604017012e+02 nan 0.82 nan nan nan nan nan 7.568422521e+02 nan nan 8.584667351e+02 nan 0.84 nan nan nan nan nan 6.793706579e+02 nan nan 7.680701013e+02 nan 0.86 nan nan nan nan nan 6.104560288e+02 nan nan 6.877870631e+02 nan 0.88 nan nan nan 1.530309106e+03 1.530388784e+03 5.490835731e+02 nan nan 6.163842543e+02 9.431172965e+02 0.90 nan 8.201461275e+02 nan 1.387074519e+03 1.387108958e+03 4.943470718e+02 8.547945355e+02 nan 5.527940550e+02 8.501072564e+02 0.92 nan 7.376648159e+02 nan 1.258133119e+03 1.258122207e+03 4.454445672e+02 7.702494343e+02 nan 4.960868427e+02 7.667645619e+02 0.94 nan 6.637503254e+02 nan 1.141910776e+03 1.141872627e+03 4.016817308e+02 6.944392751e+02 nan 4.454490733e+02 6.919932088e+02 0.96 nan 5.974454070e+02 nan 1.037017830e+03 1.036978606e+03 3.624629374e+02 6.263893736e+02 nan 4.001685153e+02 6.248539436e+02 0.98 nan 5.379116504e+02 nan 9.422305737e+02 9.422133261e+02 3.272723912e+02 5.652462810e+02 8.589267846e+02 3.596244630e+02 5.645262716e+02 1.00 8.564130726e+02 4.844100709e+02 7.473100234e+02 8.564750793e+02 8.564940968e+02 2.956604751e+02 5.102685324e+02 7.795285342e+02 3.232782621e+02 5.102769164e+02 1.02 7.787056116e+02 4.362960287e+02 6.779668371e+02 7.788100415e+02 7.788700686e+02 2.672368098e+02 4.608076489e+02 7.077077941e+02 2.906621106e+02 4.614451941e+02 1.04 7.082845399e+02 3.930105804e+02 6.151995520e+02 7.084087169e+02 7.085049403e+02 2.416621385e+02 4.162846272e+02 6.426978271e+02 2.613684269e+02 4.174394166e+02 1.06 6.444229496e+02 3.540606468e+02 5.583695442e+02 6.445427136e+02 6.446606552e+02 2.186378528e+02 3.761750157e+02 5.838171751e+02 2.350423105e+02 3.777340014e+02 1.08 5.864737666e+02 3.189998592e+02 5.069014009e+02 5.865686150e+02 5.866866935e+02 1.978965523e+02 3.400050717e+02 5.304561558e+02 2.113748561e+02 3.418643838e+02 1.10 5.338572449e+02 2.874211779e+02 4.602709944e+02 5.339154755e+02 5.340114039e+02 1.791961349e+02 3.073518276e+02 4.820680222e+02 1.900944904e+02 3.094214559e+02 1.12 4.860520752e+02 2.589585604e+02 4.180022658e+02 4.860730082e+02 4.861308027e+02 1.623177130e+02 2.778410914e+02 4.381638016e+02 1.709584871e+02 2.800471140e+02 1.14 4.425919303e+02 2.332878677e+02 3.796666717e+02 4.425827577e+02 4.425962524e+02 1.470650547e+02 2.511428477e+02 3.983081893e+02 1.537481060e+02 2.534306904e+02 1.16 4.030628435e+02 2.101223183e+02 3.448801123e+02 4.030325904e+02 4.030048206e+02 1.332631999e+02 2.269665819e+02 3.621130393e+02 1.382669410e+02 2.293035474e+02 1.18 3.670965754e+02 1.892054645e+02 3.132979888e+02 3.670521429e+02 3.669927379e+02 1.207569996e+02 2.050578791e+02 3.292282220e+02 1.243394183e+02 2.074310832e+02 1.20 3.343610441e+02 1.703062108e+02 2.846116679e+02 3.343072329e+02 3.342296727e+02 1.094111164e+02 1.851951456e+02 2.993336789e+02 1.118077187e+02 1.876051526e+02 1.22 3.045518129e+02 1.532172133e+02 2.585456506e+02 3.044936080e+02 3.044128848e+02 9.910994043e+01 1.671850681e+02 2.721360880e+02 1.005281929e+02 1.696391009e+02 1.24 2.773877361e+02 1.377551754e+02 2.348525889e+02 2.773324073e+02 2.772629633e+02 8.975489888e+01 1.508571235e+02 2.473699507e+02 9.036941461e+01 1.533647604e+02 1.26 2.526117810e+02 1.237606560e+02 2.133066026e+02 2.525691209e+02 2.525228963e+02 8.125953667e+01 1.360584831e+02 2.247999128e+02 8.121248180e+01 1.386299266e+02 1.28 2.299946949e+02 1.110956708e+02 1.936983722e+02 2.299749015e+02 2.299596678e+02 7.354487121e+01 1.226503003e+02 2.042207114e+02 7.295201508e+01 1.252955043e+02 1.30 2.093366950e+02 9.963928069e+01 1.758344684e+02 2.093470692e+02 2.093655774e+02 6.653687407e+01 1.105056887e+02 1.854534078e+02 6.549591762e+01 1.132324026e+02 1.32 1.904643638e+02 8.928295466e+01 1.595400881e+02 1.905069167e+02 1.905571938e+02 6.016629842e+01 9.950904608e+01 1.683395934e+02 5.876341794e+01 1.023190732e+02 1.34 1.732245921e+02 7.992722953e+01 1.446620156e+02 1.732957316e+02 1.733721597e+02 5.436985875e+01 8.955578840e+01 1.527362987e+02 5.268239374e+01 9.244083642e+01 1.36 1.574792239e+02 7.147987217e+01 1.310689697e+02 1.575710262e+02 1.576654792e+02 4.909130701e+01 8.055155299e+01 1.385128697e+02 4.718729494e+01 8.349131889e+01 1.38 1.431020008e+02 6.385496498e+01 1.186487871e+02 1.432039389e+02 1.433066257e+02 4.428143016e+01 7.241064778e+01 1.255492761e+02 4.221829676e+01 7.537481021e+01 1.40 1.299769841e+02 5.697244512e+01 1.073039802e+02 1.300775098e+02 1.301777590e+02 3.989705074e+01 6.505426762e+01 1.137349308e+02 3.772137098e+01 6.800751622e+01 1.42 1.179971542e+02 5.075802616e+01 9.694765412e+01 1.180851857e+02 1.181725542e+02 3.589972957e+01 5.840914296e+01 1.029676901e+02 3.364850411e+01 6.131654180e+01 1.44 1.070628580e+02 4.514356798e+01 8.750083058e+01 1.071292903e+02 1.071950231e+02 3.225499165e+01 5.240690592e+01 9.315313912e+01 2.995751069e+01 5.523724338e+01 1.46 9.708068400e+01 4.006776091e+01 7.889106457e+01 9.711971487e+01 9.715815344e+01 2.893221477e+01 4.698399758e+01 8.420428851e+01 2.661133110e+01 4.971065747e+01 1.48 8.796341273e+01 3.547672127e+01 7.105167871e+01 8.797326686e+01 8.798266922e+01 2.590418214e+01 4.208173290e+01 7.604168654e+01 2.357713844e+01 4.468233141e+01 1.50 7.963099692e+01 3.132404754e+01 6.392105494e+01 7.961377531e+01 7.959622850e+01 2.314664221e+01 3.764627607e+01 6.859374047e+01 2.082592562e+01 4.010266549e+01 1.52 7.201175494e+01 2.757012549e+01 5.744184412e+01 7.197248837e+01 7.193299553e+01 2.063766785e+01 3.362855450e+01 6.179682565e+01 1.833178969e+01 3.592783797e+01 1.54 6.504280765e+01 2.418082491e+01 5.156026209e+01 6.498810943e+01 6.493325697e+01 1.835702896e+01 2.998424550e+01 5.559480177e+01 1.607160586e+01 3.212021178e+01 1.56 5.866937558e+01 2.112597084e+01 4.622565401e+01 5.860617020e+01 5.854286088e+01 1.628578783e+01 2.667385156e+01 4.993792575e+01 1.402474365e+01 2.864775904e+01 1.58 5.284328266e+01 1.837798866e+01 4.139033253e+01 5.277792857e+01 5.271250489e+01 1.440615755e+01 2.366274813e+01 4.478152182e+01 1.217271150e+01 2.548280304e+01 1.60 4.752129809e+01 1.591087170e+01 3.700955062e+01 4.745917531e+01 4.739700603e+01 1.270151827e+01 2.092102987e+01 4.008483289e+01 1.049875965e+01 2.260062254e+01 1.62 4.266379386e+01 1.369982892e+01 3.304146403e+01 4.260923339e+01 4.255464188e+01 1.115644838e+01 1.842308352e+01 3.581027323e+01 8.987521643e+00 1.997840207e+01 1.64 3.823390184e+01 1.172133427e+01 2.944703459e+01 3.819025803e+01 3.814659348e+01 9.756681624e+00 1.614726478e+01 3.192305019e+01 7.624751557e+00 1.759493551e+01 1.66 3.419713835e+01 9.953087662e+00 2.618991762e+01 3.416683085e+01 3.413650945e+01 8.488984855e+00 1.407488346e+01 2.839099052e+01 6.397171338e+00 1.543026367e+01 1.68 3.052134022e+01 8.374196683e+00 2.323640751e+01 3.050578657e+01 3.049022358e+01 7.341017640e+00 1.218937112e+01 2.518441749e+01 5.292413113e+00 1.346570380e+01 1.70 2.717671411e+01 6.965273665e+00 2.055549606e+01 2.717618769e+01 2.717565497e+01 6.301258589e+00 1.047565831e+01 2.227599789e+01 4.299027435e+00 1.168395357e+01 1.72 2.413583913e+01 5.708398852e+00 1.811905868e+01 2.414936675e+01 2.416289012e+01 5.359054681e+00 8.919810742e+00 1.964053796e+01 3.406519873e+00 1.006913918e+01 1.74 2.137355322e+01 4.587007783e+00 1.590202166e+01 2.139896976e+01 2.142438339e+01 4.504775305e+00 7.508883685e+00 1.725473171e+01 2.605373528e+00 8.606767928e+00 1.76 1.886673455e+01 3.585813328e+00 1.388266726e+01 1.890094087e+01 1.893514522e+01 3.729975296e+00 6.230891047e+00 1.509677577e+01 1.887024006e+00 7.283606220e+00 1.78 1.659400922e+01 2.690833750e+00 1.204271848e+01 1.663338343e+01 1.667275629e+01 3.027452326e+00 5.074793642e+00 1.314624199e+01 1.243779518e+00 6.087522544e+00 1.80 1.453532693e+01 1.889506033e+00 1.036681767e+01 1.457618667e+01 1.461704549e+01 2.391143115e+00 4.030461474e+00 1.138390013e+01 6.687111296e-01 5.007327338e+00 1.82 1.267190087e+01 1.170797386e+00 8.841932584e+00 1.271092047e+01 1.274993944e+01 1.815894076e+00 3.088611690e+00 9.791461058e+00 1.555535288e-01 4.032627393e+00 1.84 1.098585755e+01 5.252321803e-01 7.456700782e+00 1.102035930e+01 1.105486062e+01 1.297193788e+00 2.240741687e+00 8.351586242e+00 -3.013566791e-01 3.153709938e+00 1.86 9.460020078e+00 -5.519442372e-02 6.200867020e+00 9.488144713e+00 9.516269056e+00 8.309416542e-01 1.479068113e+00 7.048045018e+00 -7.071091118e-01 2.361473982e+00 1.88 8.077928118e+00 -5.771934410e-01 5.064882578e+00 8.098691927e+00 8.119455533e+00 4.132798626e-01 7.964686158e-01 5.865974482e+00 -1.066244633e+00 1.647426015e+00 1.90 6.824060184e+00 -1.046403981e+00 4.039655625e+00 6.837313889e+00 6.850567452e+00 4.047743793e-02 1.864160018e-01 4.792156180e+00 -1.382810653e+00 1.003744652e+00 1.92 5.684203829e+00 -1.467617979e+00 3.116405447e+00 5.690507907e+00 5.696811885e+00 -2.911566269e-01 -3.571021286e-01 3.815209074e+00 -1.660460166e+00 4.233914069e-01 1.94 4.645843158e+00 -1.844979358e+00 2.286580462e+00 4.646278739e+00 4.646714238e+00 -5.853424614e-01 -8.396751119e-01 2.925621820e+00 -1.902579329e+00 -9.977999557e-02 1.96 3.698407500e+00 -2.182145024e+00 1.541822868e+00 3.694352357e+00 3.690297157e+00 -8.458737882e-01 -1.266558620e+00 2.115600939e+00 -2.112409352e+00 -5.709722885e-01 1.98 2.833279164e+00 -2.482406951e+00 8.739840624e-01 2.826186108e+00 2.819093011e+00 -1.076617428e+00 -1.642741753e+00 1.378773682e+00 -2.293127255e+00 -9.944880999e-01 2.00 2.043559496e+00 -2.748780548e+00 2.752007432e-01 2.034772152e+00 2.025984779e+00 -1.281448216e+00 -1.972974902e+00 7.098242323e-01 -2.447863791e+00 -1.373867819e+00 2.02 1.323680259e+00 -2.984065325e+00 -2.619703242e-01 1.314309247e+00 1.304938214e+00 -1.464126716e+00 -2.261753691e+00 1.041443329e-01 -2.579659026e+00 -1.712087227e+00 2.04 6.689786466e-01 -3.190883501e+00 -7.443857087e-01 6.598443449e-01 6.507100285e-01 -1.628113847e+00 -2.513271099e+00 -4.424474769e-01 -2.691377701e+00 -2.011765742e+00 2.06 7.533147331e-02 -3.371701339e+00 -1.178162963e+00 6.696452425e-02 5.859755814e-02 -1.776346157e+00 -2.731362842e+00 -9.338977417e-01 -2.785624942e+00 -2.275341645e+00 2.08 -4.611039941e-01 -3.528837867e+00 -1.568590560e+00 -4.684224198e-01 -4.757408577e-01 -1.911207742e+00 -2.919472526e+00 -1.374028048e+00 -2.864699635e+00 -2.505189498e+00 2.10 -9.440389447e-01 -3.664465925e+00 -1.920126828e+00 -9.502172691e-01 -9.563955872e-01 -2.034498178e+00 -3.080653362e+00 -1.766582191e+00 -2.930506845e+00 -2.703675844e+00 2.12 -1.377115070e+00 -3.780608828e+00 -2.236482575e+00 -1.382188795e+00 -1.387262516e+00 -2.147481678e+00 -3.217607992e+00 -2.115232390e+00 -2.984685862e+00 -2.873165681e+00 2.14 -1.763910838e+00 -3.879135951e+00 -2.520756794e+00 -1.767988650e+00 -1.772066459e+00 -2.250632275e+00 -3.332755479e+00 -2.423562988e+00 -3.028690275e+00 -3.016000774e+00 2.16 -2.107922794e+00 -3.961758715e+00 -2.775586789e+00 -2.111145911e+00 -2.114369026e+00 -2.343366315e+00 -3.428308428e+00 -2.695044754e+00 -3.063852304e+00 -3.134471543e+00 2.18 -2.412541974e+00 -4.030028228e+00 -3.003282119e+00 -2.415057183e+00 -2.417572391e+00 -2.425278348e+00 -3.506343020e+00 -2.933007729e+00 -3.090929315e+00 -3.230798966e+00 2.20 -2.681037677e+00 -4.085335292e+00 -3.205925937e+00 -2.682981660e+00 -2.684925642e+00 -2.496265737e+00 -3.568847929e+00 -3.140617530e+00 -3.109448916e+00 -3.307134691e+00 2.22 -2.916552145e+00 -4.128914150e+00 -3.385441759e+00 -2.918044024e+00 -2.919535908e+00 -2.556449577e+00 -3.617743571e+00 -3.320858014e+00 -3.119227025e+00 -3.365578927e+00 2.24 -3.122103815e+00 -4.161862675e+00 -3.543630924e+00 -3.123242974e+00 -3.124382136e+00 -2.606116683e+00 -3.654870387e+00 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