# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Muller-M-Erhart-P-Albe-K--Fe # implementation = Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_002 # 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 2024-11-27 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 1.201414461e+03 nan nan nan nan 0.62 nan nan nan nan nan 1.068296093e+03 nan nan 1.252151500e+03 nan 0.64 nan nan nan nan nan 9.521462299e+02 nan nan 1.117193224e+03 nan 0.66 nan nan nan nan nan 8.511618739e+02 nan nan 9.987001108e+02 nan 0.68 nan nan nan nan nan 7.633552012e+02 nan nan 8.943848000e+02 nan 0.70 nan 1.136723960e+03 nan nan nan 6.854054162e+02 1.159030008e+03 nan 8.020990279e+02 1.142703729e+03 0.72 nan 1.025153272e+03 nan nan nan 6.151636169e+02 1.046608571e+03 nan 7.206051895e+02 1.030952315e+03 0.74 nan 9.262282075e+02 nan nan nan 5.521686050e+02 9.463601130e+02 nan 6.489196464e+02 9.313562044e+02 0.76 nan 8.383890182e+02 1.155310367e+03 nan nan 4.966500737e+02 8.564368173e+02 1.192728751e+03 5.856663533e+02 8.423589135e+02 0.78 1.165886297e+03 7.596024156e+02 1.050903081e+03 1.166250962e+03 1.166592831e+03 4.483920298e+02 7.755589305e+02 1.085628347e+03 5.292096961e+02 7.634641408e+02 0.80 1.063381830e+03 6.889791637e+02 9.575728284e+02 1.063329434e+03 1.063392332e+03 4.057993678e+02 7.032890664e+02 9.898191925e+02 4.784480351e+02 6.939261322e+02 0.82 9.717796784e+02 6.260720545e+02 8.741133594e+02 9.709714444e+02 9.706396914e+02 3.679487090e+02 6.390913570e+02 9.036578048e+02 4.328570023e+02 6.316471312e+02 0.84 8.887712142e+02 5.691622951e+02 7.984931451e+02 8.877329175e+02 8.872306248e+02 3.336451458e+02 5.820556501e+02 8.253737626e+02 3.920950229e+02 5.748910611e+02 0.86 8.132168868e+02 5.180472807e+02 7.301884368e+02 8.126734263e+02 8.123134964e+02 3.025598834e+02 5.306912796e+02 7.542375023e+02 3.554726415e+02 5.231246468e+02 0.88 7.444744191e+02 4.718054735e+02 6.682460382e+02 7.447159167e+02 7.446346954e+02 2.745045120e+02 4.837578487e+02 6.898032059e+02 3.223638799e+02 4.764182356e+02 0.90 6.818195786e+02 4.298059538e+02 6.114501849e+02 6.827407777e+02 6.829253973e+02 2.491694103e+02 4.410381132e+02 6.314320697e+02 2.924127483e+02 4.349669060e+02 0.92 6.251941017e+02 3.919333271e+02 5.594047446e+02 6.263189927e+02 6.266984514e+02 2.263768912e+02 4.024566988e+02 5.787984388e+02 2.653501747e+02 3.975972373e+02 0.94 5.746196751e+02 3.576390252e+02 5.119279098e+02 5.751352853e+02 5.756019780e+02 2.056687881e+02 3.677444078e+02 5.314033736e+02 2.408774628e+02 3.637778947e+02 0.96 5.284955540e+02 3.265638959e+02 4.692471852e+02 5.285117951e+02 5.289962858e+02 1.869200606e+02 3.365333777e+02 4.882024304e+02 2.187121048e+02 3.327115120e+02 0.98 4.864831534e+02 2.985347004e+02 4.316064850e+02 4.860832030e+02 4.863774465e+02 1.702949053e+02 3.083130555e+02 4.487888803e+02 1.987123302e+02 3.042904322e+02 1.00 4.479823222e+02 2.731943736e+02 3.976810072e+02 4.473995581e+02 4.474013318e+02 1.554758750e+02 2.823432611e+02 4.127732762e+02 1.807393051e+02 2.782975933e+02 1.02 4.125469596e+02 2.500049307e+02 3.662942260e+02 4.119969268e+02 4.116823506e+02 1.419452884e+02 2.583438284e+02 3.796505402e+02 1.644888833e+02 2.544571907e+02 1.04 3.799011879e+02 2.286604801e+02 3.373540471e+02 3.796083671e+02 3.790689008e+02 1.296394994e+02 2.362289040e+02 3.493135748e+02 1.499223318e+02 2.325365343e+02 1.06 3.500775726e+02 2.091312952e+02 3.105346503e+02 3.500302696e+02 3.494432331e+02 1.182314530e+02 2.158488627e+02 3.217942680e+02 1.367693146e+02 2.125843649e+02 1.08 3.228768572e+02 1.913861019e+02 2.856424355e+02 3.230268817e+02 3.226222728e+02 1.075226138e+02 1.971287120e+02 2.967983256e+02 1.248024243e+02 1.943769962e+02 1.10 2.981512441e+02 1.753015856e+02 2.627983703e+02 2.983521260e+02 2.981805169e+02 9.759391001e+01 1.800755196e+02 2.739218991e+02 1.139029717e+02 1.778315671e+02 1.12 2.758895624e+02 1.603471444e+02 2.421296002e+02 2.758299758e+02 2.758055950e+02 8.856769546e+01 1.645617120e+02 2.528080832e+02 1.039493276e+02 1.631026913e+02 1.14 2.551287479e+02 1.463206776e+02 2.233194183e+02 2.549282259e+02 2.550622899e+02 8.037529957e+01 1.506333568e+02 2.329580741e+02 9.476483511e+01 1.498118512e+02 1.16 2.354756404e+02 1.332566508e+02 2.060467039e+02 2.354112493e+02 2.357176865e+02 7.303166962e+01 1.381795852e+02 2.143121647e+02 8.625187730e+01 1.377105712e+02 1.18 2.169964038e+02 1.212909022e+02 1.901129757e+02 2.171866048e+02 2.176071091e+02 6.664207333e+01 1.269241297e+02 1.969741363e+02 7.832947048e+01 1.267667488e+02 1.20 1.997505540e+02 1.105240571e+02 1.752009906e+02 2.001468942e+02 2.006229236e+02 6.096151180e+01 1.165157282e+02 1.810204743e+02 7.100336186e+01 1.168438029e+02 1.22 1.837648311e+02 1.009349832e+02 1.610320794e+02 1.843201784e+02 1.848137936e+02 5.562204898e+01 1.068688414e+02 1.665315763e+02 6.432216457e+01 1.076306231e+02 1.24 1.691478829e+02 9.250715478e+01 1.476571333e+02 1.697930792e+02 1.702527622e+02 5.061601083e+01 9.797463003e+01 1.535019028e+02 5.829551363e+01 9.891097035e+01 1.26 1.561013067e+02 8.496280136e+01 1.351830690e+02 1.566118622e+02 1.569383444e+02 4.595803257e+01 8.978398855e+01 1.417866344e+02 5.286997741e+01 9.068647869e+01 1.28 1.445312091e+02 7.797954003e+01 1.237903533e+02 1.446886858e+02 1.447933051e+02 4.167499167e+01 8.229740854e+01 1.309947138e+02 4.788594214e+01 8.297158745e+01 1.30 1.338273646e+02 7.146319339e+01 1.136480578e+02 1.337019500e+02 1.336116504e+02 3.776297780e+01 7.548734001e+01 1.209571805e+02 4.326835890e+01 7.579235906e+01 1.32 1.239260557e+02 6.530836030e+01 1.046112663e+02 1.235879196e+02 1.233079514e+02 3.423402615e+01 6.926427778e+01 1.116659789e+02 3.897418106e+01 6.919184082e+01 1.34 1.146699159e+02 5.948191382e+01 9.651595548e+01 1.142044499e+02 1.137628052e+02 3.109423120e+01 6.353766978e+01 1.030138464e+02 3.499837507e+01 6.311318595e+01 1.36 1.059448584e+02 5.397173133e+01 8.903772975e+01 1.054121882e+02 1.048804852e+02 2.820151060e+01 5.818902200e+01 9.490047750e+01 3.134500644e+01 5.751851690e+01 1.38 9.774398834e+01 4.879982263e+01 8.209567880e+01 9.720754296e+01 9.667077269e+01 2.552701945e+01 5.314484713e+01 8.728354969e+01 2.804019260e+01 5.240124845e+01 1.40 9.000049397e+01 4.400252781e+01 7.567660272e+01 8.955229670e+01 8.910427751e+01 2.307614419e+01 4.838857080e+01 8.018905486e+01 2.505443018e+01 4.755529673e+01 1.42 8.273017399e+01 3.963319332e+01 6.976619781e+01 8.244806512e+01 8.216677755e+01 2.085503742e+01 4.391190795e+01 7.365166917e+01 2.233874032e+01 4.297850312e+01 1.44 7.597253671e+01 3.573833324e+01 6.434532385e+01 7.585805122e+01 7.574519050e+01 1.886581348e+01 3.967329198e+01 6.764831231e+01 1.989721407e+01 3.871299728e+01 1.46 6.978086320e+01 3.229986103e+01 5.937887591e+01 6.980765463e+01 6.983680900e+01 1.709390305e+01 3.569332694e+01 6.209668127e+01 1.768547362e+01 3.482823501e+01 1.48 6.420400925e+01 2.925681515e+01 5.477911233e+01 6.432179812e+01 6.444240924e+01 1.547371569e+01 3.195770663e+01 5.700849054e+01 1.569537667e+01 3.140607456e+01 1.50 5.919654393e+01 2.647960731e+01 5.047492858e+01 5.935550037e+01 5.951731815e+01 1.398399949e+01 2.847701331e+01 5.236203291e+01 1.392555451e+01 2.846943399e+01 1.52 5.456205127e+01 2.390897153e+01 4.643779399e+01 5.475472564e+01 5.495012528e+01 1.261440430e+01 2.531966045e+01 4.802881597e+01 1.236071880e+01 2.583049779e+01 1.54 5.017890701e+01 2.151144100e+01 4.265779850e+01 5.042344176e+01 5.067060709e+01 1.135542451e+01 2.252095497e+01 4.396438487e+01 1.093917655e+01 2.335377125e+01 1.56 4.604770345e+01 1.928169076e+01 3.906943365e+01 4.633953249e+01 4.663384823e+01 1.018422296e+01 2.001288710e+01 4.017489593e+01 9.622096184e+00 2.103645984e+01 1.58 4.217256911e+01 1.721543947e+01 3.561231657e+01 4.248479842e+01 4.279920305e+01 9.082142841e+00 1.776387297e+01 3.666929897e+01 8.401993430e+00 1.887817312e+01 1.60 3.856139215e+01 1.528067973e+01 3.229406655e+01 3.886524234e+01 3.917078490e+01 8.048227132e+00 1.578327226e+01 3.345689136e+01 7.272700664e+00 1.688080447e+01 1.62 3.522483572e+01 1.346335597e+01 2.912132325e+01 3.548968415e+01 3.575555538e+01 7.080208395e+00 1.399677476e+01 3.054302338e+01 6.230633178e+00 1.504771163e+01 1.64 3.217338037e+01 1.176667302e+01 2.610522954e+01 3.236869730e+01 3.256417388e+01 6.175379570e+00 1.233812589e+01 2.790326524e+01 5.272995892e+00 1.338198511e+01 1.66 2.941249699e+01 1.017996718e+01 2.326910845e+01 2.951213445e+01 2.961090695e+01 5.332095007e+00 1.080733125e+01 2.545419369e+01 4.394197521e+00 1.188403253e+01 1.68 2.693433442e+01 8.699461478e+00 2.065261405e+01 2.692305867e+01 2.690983265e+01 4.551422079e+00 9.405218812e+00 2.317475296e+01 3.588477003e+00 1.054767415e+01 1.70 2.465661438e+01 7.299796281e+00 1.826110594e+01 2.454886356e+01 2.443821309e+01 3.838065575e+00 8.132219551e+00 2.102464917e+01 2.854753039e+00 9.329602749e+00 1.72 2.250722551e+01 5.972374841e+00 1.612907746e+01 2.233632913e+01 2.216196736e+01 3.199479498e+00 6.987034607e+00 1.895303258e+01 2.192448421e+00 8.198131942e+00 1.74 2.042715992e+01 4.727968067e+00 1.430609001e+01 2.023536856e+01 2.004019701e+01 2.642655708e+00 5.965084764e+00 1.695909975e+01 1.599380735e+00 7.131368351e+00 1.76 1.841848336e+01 3.590621538e+00 1.278392376e+01 1.824436669e+01 1.806756196e+01 2.164030619e+00 5.038528463e+00 1.504268735e+01 1.062046200e+00 6.126574855e+00 1.78 1.648130020e+01 2.591115843e+00 1.139602872e+01 1.633449097e+01 1.618591002e+01 1.729819729e+00 4.188684517e+00 1.320420025e+01 5.764406551e-01 5.181273185e+00 1.80 1.461376965e+01 1.745161438e+00 1.011079539e+01 1.450083494e+01 1.438708482e+01 1.332403075e+00 3.409976573e+00 1.144868264e+01 1.388627840e-01 4.293433229e+00 1.82 1.281492461e+01 9.909584965e-01 8.911105844e+00 1.274344440e+01 1.267189389e+01 9.723654241e-01 2.690525020e+00 9.790852104e+00 -2.530737368e-01 3.462233319e+00 1.84 1.108921096e+01 3.216928113e-01 7.761323275e+00 1.106483880e+01 1.104062015e+01 6.577296137e-01 2.020925784e+00 8.258982811e+00 -6.012421525e-01 2.688796162e+00 1.86 9.452147599e+00 -2.557742953e-01 6.658712993e+00 9.478243044e+00 9.503982897e+00 3.860054739e-01 1.398814221e+00 6.893369339e+00 -9.071230228e-01 1.976566759e+00 1.88 7.934824440e+00 -7.629827415e-01 5.602292558e+00 8.008577475e+00 8.080804845e+00 1.520956116e-01 8.220728764e-01 5.698150352e+00 -1.175700428e+00 1.330951726e+00 1.90 6.582680147e+00 -1.217698100e+00 4.590916550e+00 6.691107805e+00 6.796707996e+00 -5.089794518e-02 2.889371424e-01 4.673412972e+00 -1.415199839e+00 7.579769234e-01 1.92 5.443723918e+00 -1.620234537e+00 3.624311129e+00 5.562867777e+00 5.678582830e+00 -2.312768471e-01 -2.018764204e-01 3.826472129e+00 -1.628733105e+00 2.621215450e-01 1.94 4.539686363e+00 -1.972596603e+00 2.704475591e+00 4.641097587e+00 4.739665391e+00 -3.978942844e-01 -6.510814572e-01 3.072826268e+00 -1.819226519e+00 -1.575666520e-01 1.96 3.745279227e+00 -2.286255775e+00 1.837166507e+00 3.822960929e+00 3.898651439e+00 -5.587664245e-01 -1.058838303e+00 2.378349037e+00 -1.989248426e+00 -5.304843039e-01 1.98 3.011407394e+00 -2.566980311e+00 1.032876210e+00 3.068311643e+00 3.123968065e+00 -7.192461259e-01 -1.424925789e+00 1.737927868e+00 -2.140454224e+00 -8.687868576e-01 2.00 2.334150607e+00 -2.817241993e+00 3.064287150e-01 2.374320711e+00 2.413835558e+00 -8.802787685e-01 -1.749078304e+00 1.144384216e+00 -2.268551242e+00 -1.175008167e+00 2.02 1.709829540e+00 -3.039344749e+00 -3.256211689e-01 1.738141023e+00 1.766208039e+00 -1.037826151e+00 -2.031433198e+00 5.947911878e-01 -2.373072754e+00 -1.451508170e+00 2.04 1.134991185e+00 -3.235435619e+00 -8.497665004e-01 1.156802529e+00 1.178581993e+00 -1.184626946e+00 -2.272651815e+00 8.676982525e-02 -2.455703941e+00 -1.700484682e+00 2.06 6.063951328e-01 -3.407515019e+00 -1.267644558e+00 6.266607734e-01 6.469264140e-01 -1.314798215e+00 -2.478510401e+00 -3.818318320e-01 -2.518059546e+00 -1.923984370e+00 2.08 1.210006859e-01 -3.557446339e+00 -1.636924439e+00 1.406203595e-01 1.602400330e-01 -1.431518986e+00 -2.659652932e+00 -8.129379889e-01 -2.564785853e+00 -2.123912990e+00 2.10 -3.262356274e-01 -3.686964926e+00 -1.972342668e+00 -3.073571130e-01 -2.884785986e-01 -1.536631095e+00 -2.818909434e+00 -1.209501500e+00 -2.600430020e+00 -2.299866699e+00 2.12 -7.436319614e-01 -3.797686492e+00 -2.276216789e+00 -7.258988352e-01 -7.081657090e-01 -1.630917034e+00 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