# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Lee-B-J-Lee-T-H-Kim-S-J--Fe-N # implementation = 2006--Lee-B-J--Fe-N--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 3.956358711e+02 nan nan nan nan 0.64 nan nan nan nan nan 3.700401820e+02 nan nan nan nan 0.66 nan nan nan nan nan 3.460537544e+02 nan nan 4.803247999e+02 nan 0.68 nan nan nan nan nan 3.235742192e+02 nan nan 4.458696951e+02 nan 0.70 nan nan nan nan nan 3.025059989e+02 nan nan 4.138060008e+02 nan 0.72 nan 6.950892737e+02 nan nan nan 2.827598271e+02 nan nan 3.839694712e+02 5.004118280e+02 0.74 nan 6.463518221e+02 nan nan nan 2.642523051e+02 5.519131422e+02 nan 3.562071308e+02 4.672261572e+02 0.76 nan 6.008488443e+02 nan nan nan 2.469054914e+02 5.139605898e+02 nan 3.303764985e+02 4.361547017e+02 0.78 nan 5.583736911e+02 6.981615861e+02 nan nan 2.306465231e+02 4.785038136e+02 nan 3.063448650e+02 4.070649149e+02 0.80 nan 5.187325083e+02 6.529701883e+02 nan 6.740313019e+02 2.154072642e+02 4.453825144e+02 6.412816940e+02 2.839886200e+02 3.798325244e+02 0.82 6.322657268e+02 4.817434657e+02 6.105477472e+02 6.322594053e+02 6.322530839e+02 2.011239818e+02 4.144465406e+02 6.006212181e+02 2.631926266e+02 3.543410140e+02 0.84 5.929301776e+02 4.472360326e+02 5.707308489e+02 5.929236902e+02 5.929172028e+02 1.877370444e+02 3.855552517e+02 5.623908526e+02 2.438496390e+02 3.304811389e+02 0.86 5.558998097e+02 4.150502947e+02 5.333654338e+02 5.558931650e+02 5.558865203e+02 1.751906435e+02 3.585769219e+02 5.264511055e+02 2.258597598e+02 3.081504708e+02 0.88 5.210449432e+02 3.850363123e+02 4.983062750e+02 5.210381491e+02 5.210313551e+02 1.634325350e+02 3.333881806e+02 4.926702388e+02 2.091299355e+02 2.872529718e+02 0.90 4.882429600e+02 3.570535155e+02 4.654164856e+02 4.882360237e+02 4.882290875e+02 1.524137993e+02 3.098734880e+02 4.609238494e+02 1.935734866e+02 2.676985958e+02 0.92 4.573779296e+02 3.309701354e+02 4.345670525e+02 4.573708577e+02 4.573637858e+02 1.420886188e+02 2.879246432e+02 4.310944711e+02 1.791096701e+02 2.494029138e+02 0.94 4.283402541e+02 3.066626689e+02 4.056363960e+02 4.283330525e+02 4.283258509e+02 1.324140713e+02 2.674403229e+02 4.030711988e+02 1.656632720e+02 2.322867635e+02 0.96 4.010263320e+02 2.840153756e+02 3.785099527e+02 4.010190061e+02 4.010116802e+02 1.233499380e+02 2.483256495e+02 3.767493314e+02 1.531642282e+02 2.162759207e+02 0.98 3.753382391e+02 2.629198035e+02 3.530797820e+02 3.753307937e+02 3.753233485e+02 1.148585252e+02 2.304917850e+02 3.520300349e+02 1.415472712e+02 2.013007912e+02 1.00 3.511834259e+02 2.432743438e+02 3.292441939e+02 3.511758657e+02 3.511683055e+02 1.069044985e+02 2.138555514e+02 3.288200226e+02 1.307516017e+02 1.872961223e+02 1.02 3.284744314e+02 2.249838120e+02 3.069073970e+02 3.284667603e+02 3.284590893e+02 9.945472863e+01 1.983390743e+02 3.070312526e+02 1.207205820e+02 1.742007316e+02 1.04 3.071286109e+02 2.079590538e+02 2.859791656e+02 3.071208328e+02 3.071130546e+02 9.247814814e+01 1.838694483e+02 2.865806411e+02 1.114014512e+02 1.619572538e+02 1.06 2.870678788e+02 1.921165743e+02 2.663745261e+02 2.870599969e+02 2.870521150e+02 8.594561780e+01 1.703784242e+02 2.673897915e+02 1.027450595e+02 1.505119027e+02 1.08 2.682184638e+02 1.773781898e+02 2.480134593e+02 2.682104814e+02 2.682024990e+02 7.982980235e+01 1.578021152e+02 2.493847375e+02 9.470562132e+01 1.398142482e+02 1.10 2.505106784e+02 1.636707004e+02 2.308206201e+02 2.505025982e+02 2.504945181e+02 7.410505476e+01 1.460807216e+02 2.324956999e+02 8.724048462e+01 1.298170072e+02 1.12 2.338786987e+02 1.509255821e+02 2.147250726e+02 2.338705235e+02 2.338623484e+02 6.874730835e+01 1.351582725e+02 2.166568572e+02 8.030991686e+01 1.204758479e+02 1.14 2.182603574e+02 1.390786970e+02 1.996600389e+02 2.182520896e+02 2.182438218e+02 6.373397629e+01 1.249823842e+02 2.018061271e+02 7.387690515e+01 1.117492058e+02 1.16 2.035969460e+02 1.280700220e+02 1.855626633e+02 2.035885878e+02 2.035802297e+02 5.904385780e+01 1.155040332e+02 1.878849610e+02 6.790697033e+01 1.035981117e+02 1.18 1.898330290e+02 1.178433926e+02 1.723737881e+02 1.898245826e+02 1.898161362e+02 5.465705069e+01 1.066773438e+02 1.748381489e+02 6.236799378e+01 9.598602995e+01 1.20 1.769162666e+02 1.083462633e+02 1.600377427e+02 1.769077339e+02 1.768992013e+02 5.055486978e+01 9.845938862e+01 1.626136348e+02 5.723005603e+01 8.887870727e+01 1.22 1.647972475e+02 9.952948152e+01 1.485021446e+02 1.647886304e+02 1.647800133e+02 4.671977065e+01 9.081000194e+01 1.511623424e+02 5.246528660e+01 8.224403071e+01 1.24 1.534293300e+02 9.134707583e+01 1.377177106e+02 1.534206302e+02 1.534119305e+02 4.313527852e+01 8.369160475e+01 1.404380098e+02 4.804772393e+01 7.605189453e+01 1.26 1.427684920e+02 8.375605688e+01 1.276380792e+02 1.427597112e+02 1.427509304e+02 3.978592173e+01 7.706904058e+01 1.303970331e+02 4.395318512e+01 7.027407541e+01 1.28 1.327731883e+02 7.671623034e+01 1.182196429e+02 1.327643280e+02 1.327554678e+02 3.665716963e+01 7.090942180e+01 1.209983188e+02 4.015914441e+01 6.488411538e+01 1.30 1.234042160e+02 7.019002129e+01 1.094213894e+02 1.233952778e+02 1.233863396e+02 3.373537448e+01 6.518198548e+01 1.122031442e+02 3.664462010e+01 5.985721212e+01 1.32 1.146245869e+02 6.414230929e+01 1.012047523e+02 1.146155722e+02 1.146065575e+02 3.100771710e+01 5.985795838e+01 1.039750246e+02 3.339006915e+01 5.517011603e+01 1.34 1.063994062e+02 5.854027360e+01 9.353346986e+01 1.063903164e+02 1.063812267e+02 2.846215607e+01 5.491043040e+01 9.627958899e+01 3.037728902e+01 5.080103372e+01 1.36 9.869575839e+01 5.335324775e+01 8.637345142e+01 9.868659498e+01 9.867743161e+01 2.608738016e+01 5.031423596e+01 8.908446105e+01 2.758932618e+01 4.672953755e+01 1.38 9.148259867e+01 4.855258310e+01 7.969265190e+01 9.147336297e+01 9.146412731e+01 2.387276375e+01 4.604584290e+01 8.235914783e+01 2.501039095e+01 4.293648068e+01 1.40 8.473065028e+01 4.411152080e+01 7.346095296e+01 8.472134364e+01 8.471203705e+01 2.180832518e+01 4.208324836e+01 7.607493380e+01 2.262577810e+01 3.940391758e+01 1.42 7.841230736e+01 4.000507155e+01 6.765005100e+01 7.840293115e+01 7.839355497e+01 1.988468764e+01 3.840588117e+01 7.020478092e+01 2.042179285e+01 3.611502930e+01 1.44 7.250154298e+01 3.620990281e+01 6.223335149e+01 7.249209854e+01 7.248265413e+01 1.809304258e+01 3.499451048e+01 6.472323411e+01 1.838568201e+01 3.305405350e+01 1.46 6.697382201e+01 3.270423302e+01 5.718586922e+01 6.696431071e+01 6.695479944e+01 1.642511540e+01 3.183116009e+01 5.960633191e+01 1.650556975e+01 3.020621877e+01 1.48 6.180601876e+01 2.946773225e+01 5.248413426e+01 6.179644197e+01 6.178686520e+01 1.487313324e+01 2.889902819e+01 5.483152202e+01 1.477039778e+01 2.755768307e+01 1.50 5.697633894e+01 2.648142912e+01 4.810610323e+01 5.696669805e+01 5.695705719e+01 1.342979488e+01 2.618241219e+01 5.037758147e+01 1.316986958e+01 2.509547595e+01 1.52 5.246424584e+01 2.372762343e+01 4.403107559e+01 5.245454228e+01 5.244483874e+01 1.208824234e+01 2.366663830e+01 4.622454120e+01 1.169439848e+01 2.280744437e+01 1.54 4.825039052e+01 2.118980422e+01 4.023961473e+01 4.824062573e+01 4.823086098e+01 1.084203671e+01 2.133799555e+01 4.235361474e+01 1.033505926e+01 2.068220191e+01 1.56 4.431654568e+01 1.885257302e+01 3.671347355e+01 4.430672116e+01 4.429689667e+01 9.685133597e+00 1.918367394e+01 3.874713083e+01 9.083543014e+00 1.870908105e+01 1.58 4.064554313e+01 1.670157179e+01 3.343552428e+01 4.063566041e+01 4.062577773e+01 8.611834917e+00 1.719170662e+01 3.538846981e+01 7.932115253e+00 1.687808852e+01 1.60 3.722121468e+01 1.472341538e+01 3.038969229e+01 3.721127534e+01 3.720133602e+01 7.616815751e+00 1.535091560e+01 3.226200347e+01 6.873576437e+00 1.517986330e+01 1.62 3.402833611e+01 1.290562834e+01 2.756089376e+01 3.401834177e+01 3.400834745e+01 6.695067303e+00 1.365086101e+01 2.935303824e+01 5.901225555e+00 1.360563734e+01 1.64 3.105257431e+01 1.123658554e+01 2.493497684e+01 3.104252664e+01 3.103247900e+01 5.841887187e+00 1.208179347e+01 2.664776149e+01 5.008826497e+00 1.214719860e+01 1.66 2.828043716e+01 9.705456606e+00 2.249866627e+01 2.827033791e+01 2.826023868e+01 5.052861216e+00 1.063460960e+01 2.413319094e+01 4.190575921e+00 1.079685646e+01 1.68 2.569922625e+01 8.302153908e+00 2.023951112e+01 2.568907720e+01 2.567892819e+01 4.323846286e+00 9.300810255e+00 2.179712669e+01 3.441073836e+00 9.547409230e+00 1.70 2.329699204e+01 7.017283726e+00 1.814583561e+01 2.328679507e+01 2.327659813e+01 3.650954294e+00 8.072461468e+00 1.962810611e+01 2.755296065e+00 8.392113709e+00 1.72 2.106249160e+01 5.842100588e+00 1.620669270e+01 2.105224864e+01 2.104200570e+01 3.030537018e+00 6.942157867e+00 1.761536110e+01 2.128568580e+00 7.324656574e+00 1.74 1.898514856e+01 4.768464480e+00 1.441182041e+01 1.897486160e+01 1.896457468e+01 2.459171901e+00 5.902988384e+00 1.574877783e+01 1.556543582e+00 6.339127584e+00 1.76 1.705501527e+01 3.788800781e+00 1.275160069e+01 1.704468640e+01 1.703435756e+01 1.933648688e+00 4.948504236e+00 1.401885871e+01 1.035177205e+00 5.429994431e+00 1.78 1.526273705e+01 2.896062747e+00 1.121702063e+01 1.525236844e+01 1.524199984e+01 1.450956847e+00 4.072688850e+00 1.241668645e+01 5.607087397e-01 4.592079137e+00 1.80 1.359951841e+01 2.083696401e+00 9.799635921e+00 1.358911229e+01 1.357870619e+01 1.008273754e+00 3.269929753e+00 1.093389018e+01 1.296412658e-01 3.820535923e+00 1.82 1.205709108e+01 1.345607662e+00 8.491536538e+00 1.204664977e+01 1.203620849e+01 6.029535584e-01 2.534992254e+00 9.562613523e+00 -2.612684037e-01 3.110830444e+00 1.84 1.062768382e+01 6.761315844e-01 7.285314299e+00 1.061720975e+01 1.060673570e+01 2.326088539e-01 1.862994805e+00 8.295484326e+00 -6.146465177e-01 2.458720302e+00 1.86 9.303993942e+00 7.000358474e-02 6.174032416e+00 9.293489619e+00 9.282985316e+00 -1.010908102e-01 1.249385928e+00 7.125586254e+00 -9.329150318e-01 1.860236774e+00 1.88 8.079160316e+00 -4.776674775e-01 5.151196783e+00 8.068628345e+00 8.058096395e+00 -3.964399763e-01 6.899226347e-01 6.046431902e+00 -1.220621742e+00 1.311667668e+00 1.90 6.946737947e+00 -9.714232752e-01 4.210728973e+00 6.936181036e+00 6.925624144e+00 -6.751432212e-01 1.806502191e-01 5.051937456e+00 -1.478717498e+00 8.095412356e-01 1.92 5.900673923e+00 -1.415478791e+00 3.346940809e+00 5.890094880e+00 5.879515856e+00 -9.273828078e-01 -2.821166562e-01 4.136398792e+00 -1.710118450e+00 3.506110824e-01 1.94 4.935284705e+00 -1.813759065e+00 2.554510445e+00 4.924686446e+00 4.914088205e+00 -1.154936860e+00 -7.018116528e-01 3.294468937e+00 -1.916664019e+00 -6.815798424e-02 1.96 4.045234686e+00 -2.169892928e+00 1.828459846e+00 4.034620236e+00 4.024005804e+00 -1.359469228e+00 -1.081633317e+00 2.521136808e+00 -2.100167321e+00 -4.496032364e-01 1.98 3.225515940e+00 -2.487246948e+00 1.164133615e+00 3.214888439e+00 3.204260955e+00 -1.542536175e+00 -1.424560576e+00 1.811707178e+00 -2.260710880e+00 -7.963764820e-01 2.00 2.471429109e+00 -2.768948560e+00 5.571790680e-01 2.460791813e+00 2.450154532e+00 -1.705592837e+00 -1.733367232e+00 1.161781777e+00 -2.397960328e+00 -1.110955750e+00 2.02 1.778565351e+00 -3.017903633e+00 3.527490468e-03 1.767921636e+00 1.757277937e+00 -1.849999352e+00 -2.010635527e+00 5.672414817e-01 -2.522778475e+00 -1.395656254e+00 2.04 1.142789307e+00 -3.236779893e+00 -5.006234842e-01 1.132142675e+00 1.121496058e+00 -1.977026666e+00 -2.258768833e+00 2.422953061e-02 -2.631286986e+00 -1.652486926e+00 2.06 5.602230246e-01 -3.427919127e+00 -9.588264489e-01 5.495771051e-01 5.389311999e-01 -2.087862055e+00 -2.480003515e+00 -4.708642954e-01 -2.724615308e+00 -1.881570525e+00 2.08 2.723078539e-02 -3.593661401e+00 -1.374399805e+00 1.658933948e-02 5.947907287e-03 -2.183614380e+00 -2.676420037e+00 -9.214185784e-01 -2.804001597e+00 -2.085308415e+00 2.10 -4.595952122e-01 -3.736554405e+00 -1.750442412e+00 -4.702282874e-01 -4.808613495e-01 -2.265319106e+00 -2.849953344e+00 -1.330594308e+00 -2.870593532e+00 -2.270814593e+00 2.12 -9.034483578e-01 -3.858278917e+00 -2.089847355e+00 -9.140690253e-01 -9.246896804e-01 -2.333943096e+00 -3.002402569e+00 -1.701348110e+00 -2.925454567e+00 -2.435920658e+00 2.14 -1.307320370e+00 -3.960660241e+00 -2.395314888e+00 -1.317924449e+00 -1.328528516e+00 -2.390389223e+00 -3.135439970e+00 -2.036444708e+00 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