# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Fe # implementation = 2001--Lee-B-J--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 3.956358713e+02 nan nan nan nan 0.64 nan nan nan nan nan 3.700401821e+02 nan nan nan nan 0.66 nan nan nan nan nan 3.460537546e+02 nan nan 4.803248002e+02 nan 0.68 nan nan nan nan nan 3.235742194e+02 nan nan 4.458696953e+02 nan 0.70 nan nan nan nan nan 3.025059990e+02 nan nan 4.138060010e+02 nan 0.72 nan 6.950892740e+02 nan nan nan 2.827598272e+02 nan nan 3.839694714e+02 5.004118283e+02 0.74 nan 6.463518224e+02 nan nan nan 2.642523052e+02 5.519131424e+02 nan 3.562071309e+02 4.672261574e+02 0.76 nan 6.008488446e+02 nan nan nan 2.469054916e+02 5.139605900e+02 nan 3.303764987e+02 4.361547019e+02 0.78 nan 5.583736914e+02 6.981615864e+02 nan nan 2.306465232e+02 4.785038138e+02 nan 3.063448651e+02 4.070649151e+02 0.80 nan 5.187325085e+02 6.529701886e+02 nan 6.740313022e+02 2.154072644e+02 4.453825146e+02 6.412816942e+02 2.839886201e+02 3.798325245e+02 0.82 6.322657271e+02 4.817434659e+02 6.105477475e+02 6.322594056e+02 6.322530842e+02 2.011239819e+02 4.144465407e+02 6.006212183e+02 2.631926267e+02 3.543410142e+02 0.84 5.929301779e+02 4.472360328e+02 5.707308492e+02 5.929236904e+02 5.929172030e+02 1.877370445e+02 3.855552518e+02 5.623908529e+02 2.438496391e+02 3.304811391e+02 0.86 5.558998100e+02 4.150502949e+02 5.333654340e+02 5.558931652e+02 5.558865206e+02 1.751906436e+02 3.585769220e+02 5.264511057e+02 2.258597599e+02 3.081504709e+02 0.88 5.210449434e+02 3.850363125e+02 4.983062752e+02 5.210381493e+02 5.210313553e+02 1.634325350e+02 3.333881808e+02 4.926702390e+02 2.091299356e+02 2.872529719e+02 0.90 4.882429602e+02 3.570535156e+02 4.654164858e+02 4.882360239e+02 4.882290877e+02 1.524137993e+02 3.098734882e+02 4.609238496e+02 1.935734867e+02 2.676985959e+02 0.92 4.573779298e+02 3.309701355e+02 4.345670527e+02 4.573708579e+02 4.573637860e+02 1.420886189e+02 2.879246433e+02 4.310944713e+02 1.791096702e+02 2.494029139e+02 0.94 4.283402543e+02 3.066626691e+02 4.056363962e+02 4.283330527e+02 4.283258511e+02 1.324140714e+02 2.674403231e+02 4.030711989e+02 1.656632721e+02 2.322867636e+02 0.96 4.010263322e+02 2.840153757e+02 3.785099528e+02 4.010190063e+02 4.010116804e+02 1.233499381e+02 2.483256496e+02 3.767493315e+02 1.531642282e+02 2.162759208e+02 0.98 3.753382392e+02 2.629198036e+02 3.530797822e+02 3.753307939e+02 3.753233486e+02 1.148585253e+02 2.304917851e+02 3.520300350e+02 1.415472712e+02 2.013007913e+02 1.00 3.511834260e+02 2.432743439e+02 3.292441941e+02 3.511758658e+02 3.511683056e+02 1.069044985e+02 2.138555515e+02 3.288200228e+02 1.307516017e+02 1.872961224e+02 1.02 3.284744315e+02 2.249838121e+02 3.069073971e+02 3.284667605e+02 3.284590894e+02 9.945472867e+01 1.983390744e+02 3.070312527e+02 1.207205820e+02 1.742007316e+02 1.04 3.071286111e+02 2.079590539e+02 2.859791657e+02 3.071208329e+02 3.071130547e+02 9.247814819e+01 1.838694484e+02 2.865806412e+02 1.114014512e+02 1.619572539e+02 1.06 2.870678789e+02 1.921165743e+02 2.663745262e+02 2.870599970e+02 2.870521152e+02 8.594561784e+01 1.703784243e+02 2.673897916e+02 1.027450596e+02 1.505119028e+02 1.08 2.682184639e+02 1.773781899e+02 2.480134594e+02 2.682104815e+02 2.682024991e+02 7.982980239e+01 1.578021153e+02 2.493847376e+02 9.470562136e+01 1.398142482e+02 1.10 2.505106785e+02 1.636707005e+02 2.308206202e+02 2.505025983e+02 2.504945182e+02 7.410505479e+01 1.460807216e+02 2.324957000e+02 8.724048466e+01 1.298170073e+02 1.12 2.338786988e+02 1.509255821e+02 2.147250727e+02 2.338705236e+02 2.338623485e+02 6.874730838e+01 1.351582725e+02 2.166568573e+02 8.030991689e+01 1.204758480e+02 1.14 2.182603575e+02 1.390786970e+02 1.996600390e+02 2.182520896e+02 2.182438219e+02 6.373397632e+01 1.249823842e+02 2.018061272e+02 7.387690518e+01 1.117492059e+02 1.16 2.035969461e+02 1.280700220e+02 1.855626634e+02 2.035885879e+02 2.035802298e+02 5.904385783e+01 1.155040333e+02 1.878849611e+02 6.790697036e+01 1.035981118e+02 1.18 1.898330291e+02 1.178433927e+02 1.723737881e+02 1.898245826e+02 1.898161363e+02 5.465705072e+01 1.066773439e+02 1.748381489e+02 6.236799380e+01 9.598602998e+01 1.20 1.769162667e+02 1.083462634e+02 1.600377428e+02 1.769077340e+02 1.768992013e+02 5.055486980e+01 9.845938866e+01 1.626136349e+02 5.723005606e+01 8.887870730e+01 1.22 1.647972476e+02 9.952948155e+01 1.485021447e+02 1.647886304e+02 1.647800134e+02 4.671977067e+01 9.081000197e+01 1.511623425e+02 5.246528662e+01 8.224403074e+01 1.24 1.534293301e+02 9.134707586e+01 1.377177106e+02 1.534206303e+02 1.534119305e+02 4.313527854e+01 8.369160478e+01 1.404380098e+02 4.804772395e+01 7.605189456e+01 1.26 1.427684921e+02 8.375605691e+01 1.276380792e+02 1.427597112e+02 1.427509304e+02 3.978592175e+01 7.706904061e+01 1.303970331e+02 4.395318514e+01 7.027407544e+01 1.28 1.327731884e+02 7.671623037e+01 1.182196429e+02 1.327643281e+02 1.327554678e+02 3.665716965e+01 7.090942183e+01 1.209983188e+02 4.015914443e+01 6.488411541e+01 1.30 1.234042161e+02 7.019002131e+01 1.094213894e+02 1.233952779e+02 1.233863397e+02 3.373537449e+01 6.518198550e+01 1.122031442e+02 3.664462012e+01 5.985721214e+01 1.32 1.146245869e+02 6.414230931e+01 1.012047524e+02 1.146155722e+02 1.146065576e+02 3.100771711e+01 5.985795841e+01 1.039750247e+02 3.339006917e+01 5.517011605e+01 1.34 1.063994062e+02 5.854027362e+01 9.353346989e+01 1.063903165e+02 1.063812268e+02 2.846215609e+01 5.491043042e+01 9.627958902e+01 3.037728903e+01 5.080103374e+01 1.36 9.869575843e+01 5.335324777e+01 8.637345145e+01 9.868659502e+01 9.867743164e+01 2.608738017e+01 5.031423598e+01 8.908446109e+01 2.758932619e+01 4.672953756e+01 1.38 9.148259870e+01 4.855258312e+01 7.969265193e+01 9.147336300e+01 9.146412734e+01 2.387276376e+01 4.604584292e+01 8.235914786e+01 2.501039096e+01 4.293648070e+01 1.40 8.473065031e+01 4.411152082e+01 7.346095298e+01 8.472134367e+01 8.471203708e+01 2.180832519e+01 4.208324837e+01 7.607493383e+01 2.262577811e+01 3.940391760e+01 1.42 7.841230739e+01 4.000507156e+01 6.765005102e+01 7.840293118e+01 7.839355500e+01 1.988468765e+01 3.840588118e+01 7.020478095e+01 2.042179286e+01 3.611502931e+01 1.44 7.250154300e+01 3.620990282e+01 6.223335151e+01 7.249209856e+01 7.248265416e+01 1.809304259e+01 3.499451049e+01 6.472323413e+01 1.838568202e+01 3.305405351e+01 1.46 6.697382204e+01 3.270423303e+01 5.718586924e+01 6.696431073e+01 6.695479946e+01 1.642511540e+01 3.183116010e+01 5.960633193e+01 1.650556976e+01 3.020621878e+01 1.48 6.180601878e+01 2.946773226e+01 5.248413428e+01 6.179644199e+01 6.178686522e+01 1.487313325e+01 2.889902820e+01 5.483152204e+01 1.477039779e+01 2.755768308e+01 1.50 5.697633896e+01 2.648142913e+01 4.810610325e+01 5.696669807e+01 5.695705721e+01 1.342979488e+01 2.618241220e+01 5.037758149e+01 1.316986958e+01 2.509547596e+01 1.52 5.246424586e+01 2.372762343e+01 4.403107560e+01 5.245454229e+01 5.244483876e+01 1.208824235e+01 2.366663831e+01 4.622454122e+01 1.169439848e+01 2.280744438e+01 1.54 4.825039054e+01 2.118980423e+01 4.023961474e+01 4.824062575e+01 4.823086100e+01 1.084203671e+01 2.133799555e+01 4.235361475e+01 1.033505926e+01 2.068220192e+01 1.56 4.431654569e+01 1.885257303e+01 3.671347356e+01 4.430672117e+01 4.429689669e+01 9.685133602e+00 1.918367395e+01 3.874713084e+01 9.083543019e+00 1.870908106e+01 1.58 4.064554315e+01 1.670157179e+01 3.343552429e+01 4.063566043e+01 4.062577774e+01 8.611834922e+00 1.719170662e+01 3.538846982e+01 7.932115257e+00 1.687808852e+01 1.60 3.722121469e+01 1.472341539e+01 3.038969230e+01 3.721127535e+01 3.720133603e+01 7.616815755e+00 1.535091561e+01 3.226200348e+01 6.873576440e+00 1.517986331e+01 1.62 3.402833613e+01 1.290562835e+01 2.756089376e+01 3.401834178e+01 3.400834746e+01 6.695067307e+00 1.365086101e+01 2.935303825e+01 5.901225558e+00 1.360563734e+01 1.64 3.105257432e+01 1.123658554e+01 2.493497685e+01 3.104252665e+01 3.103247901e+01 5.841887191e+00 1.208179348e+01 2.664776150e+01 5.008826500e+00 1.214719860e+01 1.66 2.828043717e+01 9.705456609e+00 2.249866628e+01 2.827033792e+01 2.826023869e+01 5.052861219e+00 1.063460961e+01 2.413319095e+01 4.190575924e+00 1.079685646e+01 1.68 2.569922626e+01 8.302153911e+00 2.023951113e+01 2.568907721e+01 2.567892820e+01 4.323846289e+00 9.300810259e+00 2.179712670e+01 3.441073838e+00 9.547409234e+00 1.70 2.329699205e+01 7.017283729e+00 1.814583562e+01 2.328679508e+01 2.327659814e+01 3.650954296e+00 8.072461471e+00 1.962810611e+01 2.755296067e+00 8.392113713e+00 1.72 2.106249161e+01 5.842100590e+00 1.620669270e+01 2.105224864e+01 2.104200571e+01 3.030537020e+00 6.942157871e+00 1.761536110e+01 2.128568582e+00 7.324656577e+00 1.74 1.898514856e+01 4.768464482e+00 1.441182042e+01 1.897486161e+01 1.896457468e+01 2.459171904e+00 5.902988387e+00 1.574877784e+01 1.556543584e+00 6.339127587e+00 1.76 1.705501527e+01 3.788800783e+00 1.275160070e+01 1.704468641e+01 1.703435757e+01 1.933648690e+00 4.948504239e+00 1.401885872e+01 1.035177207e+00 5.429994434e+00 1.78 1.526273706e+01 2.896062749e+00 1.121702063e+01 1.525236844e+01 1.524199985e+01 1.450956849e+00 4.072688852e+00 1.241668645e+01 5.607087412e-01 4.592079139e+00 1.80 1.359951842e+01 2.083696403e+00 9.799635925e+00 1.358911229e+01 1.357870619e+01 1.008273755e+00 3.269929755e+00 1.093389019e+01 1.296412671e-01 3.820535926e+00 1.82 1.205709108e+01 1.345607663e+00 8.491536541e+00 1.204664978e+01 1.203620849e+01 6.029535598e-01 2.534992256e+00 9.562613527e+00 -2.612684026e-01 3.110830446e+00 1.84 1.062768383e+01 6.761315855e-01 7.285314302e+00 1.061720976e+01 1.060673571e+01 2.326088552e-01 1.862994806e+00 8.295484329e+00 -6.146465166e-01 2.458720303e+00 1.86 9.303993945e+00 7.000358571e-02 6.174032418e+00 9.293489622e+00 9.282985320e+00 -1.010908090e-01 1.249385929e+00 7.125586257e+00 -9.329150309e-01 1.860236776e+00 1.88 8.079160319e+00 -4.776674767e-01 5.151196785e+00 8.068628348e+00 8.058096398e+00 -3.964399752e-01 6.899226360e-01 6.046431905e+00 -1.220621741e+00 1.311667670e+00 1.90 6.946737950e+00 -9.714232745e-01 4.210728975e+00 6.936181039e+00 6.925624147e+00 -6.751432203e-01 1.806502203e-01 5.051937458e+00 -1.478717497e+00 8.095412370e-01 1.92 5.900673926e+00 -1.415478790e+00 3.346940811e+00 5.890094882e+00 5.879515858e+00 -9.273828070e-01 -2.821166551e-01 4.136398794e+00 -1.710118449e+00 3.506110837e-01 1.94 4.935284707e+00 -1.813759064e+00 2.554510446e+00 4.924686448e+00 4.914088207e+00 -1.154936859e+00 -7.018116519e-01 3.294468939e+00 -1.916664018e+00 -6.815798313e-02 1.96 4.045234688e+00 -2.169892927e+00 1.828459847e+00 4.034620238e+00 4.024005806e+00 -1.359469228e+00 -1.081633316e+00 2.521136810e+00 -2.100167320e+00 -4.496032354e-01 1.98 3.225515942e+00 -2.487246948e+00 1.164133616e+00 3.214888441e+00 3.204260957e+00 -1.542536174e+00 -1.424560575e+00 1.811707180e+00 -2.260710880e+00 -7.963764811e-01 2.00 2.471429111e+00 -2.768948560e+00 5.571790690e-01 2.460791814e+00 2.450154534e+00 -1.705592836e+00 -1.733367231e+00 1.161781778e+00 -2.397960328e+00 -1.110955750e+00 2.02 1.778565352e+00 -3.017903632e+00 3.527491410e-03 1.767921637e+00 1.757277938e+00 -1.849999351e+00 -2.010635527e+00 5.672414827e-01 -2.522778475e+00 -1.395656253e+00 2.04 1.142789308e+00 -3.236779893e+00 -5.006234834e-01 1.132142676e+00 1.121496059e+00 -1.977026665e+00 -2.258768833e+00 2.422953153e-02 -2.631286986e+00 -1.652486925e+00 2.06 5.602230256e-01 -3.427919127e+00 -9.588264482e-01 5.495771061e-01 5.389312010e-01 -2.087862054e+00 -2.480003515e+00 -4.708642946e-01 -2.724615308e+00 -1.881570524e+00 2.08 2.723078630e-02 -3.593661401e+00 -1.374399805e+00 1.658934039e-02 5.947908203e-03 -2.183614380e+00 -2.676420037e+00 -9.214185778e-01 -2.804001597e+00 -2.085308414e+00 2.10 -4.595952114e-01 -3.736554405e+00 -1.750442412e+00 -4.702282866e-01 -4.808613487e-01 -2.265319105e+00 -2.849953344e+00 -1.330594308e+00 -2.870593532e+00 -2.270814592e+00 2.12 -9.034483571e-01 -3.858278917e+00 -2.089847355e+00 -9.140690246e-01 -9.246896797e-01 -2.333943096e+00 -3.002402568e+00 -1.701348110e+00 -2.925454567e+00 -2.435920658e+00 2.14 -1.307320369e+00 -3.960660240e+00 -2.395314888e+00 -1.317924448e+00 -1.328528515e+00 -2.390389223e+00 -3.135439970e+00 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