# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Dudarev-S-L-Derlet-P-M--Fe # implementation = EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_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 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 1.825716930e+03 nan nan nan nan 0.70 nan nan nan nan nan 1.611971107e+03 nan nan nan nan 0.72 nan nan nan nan nan 1.427908317e+03 nan nan 1.634843829e+03 nan 0.74 nan nan nan nan nan 1.269950577e+03 nan nan 1.450734513e+03 nan 0.76 nan nan nan nan nan 1.132192473e+03 nan nan 1.289103776e+03 nan 0.78 nan 1.647956292e+03 nan nan nan 1.010878843e+03 nan nan 1.147520414e+03 nan 0.80 nan 1.478413673e+03 nan nan nan 9.042426777e+02 1.542217863e+03 nan 1.022704755e+03 1.538917005e+03 0.82 nan 1.328423423e+03 nan nan nan 8.106186528e+02 1.387267391e+03 nan 9.122945441e+02 1.379579740e+03 0.84 nan 1.193479582e+03 nan nan nan 7.278052916e+02 1.249213977e+03 nan 8.151087252e+02 1.237744714e+03 0.86 nan 1.071598636e+03 1.562947208e+03 nan nan 6.546379339e+02 1.124971919e+03 nan 7.295557967e+02 1.110230784e+03 0.88 1.608585508e+03 9.626005771e+02 1.416350316e+03 1.605392829e+03 1.602517075e+03 5.903608485e+02 1.012401065e+03 1.475705387e+03 6.541654761e+02 9.955859249e+02 0.90 1.455904289e+03 8.664165029e+02 1.286799826e+03 1.454186764e+03 1.452679252e+03 5.338704652e+02 9.098013618e+02 1.335411048e+03 5.878419264e+02 8.940832792e+02 0.92 1.320381557e+03 7.819021406e+02 1.171096505e+03 1.320160426e+03 1.319943659e+03 4.839007286e+02 8.166487435e+02 1.210324619e+03 5.298283802e+02 8.056543824e+02 0.94 1.199282033e+03 7.071308571e+02 1.066564312e+03 1.200513796e+03 1.201610103e+03 4.394069876e+02 7.333060773e+02 1.098129040e+03 4.790383756e+02 7.280525226e+02 0.96 1.090332516e+03 6.405249911e+02 9.712604807e+02 1.092877796e+03 1.095230989e+03 3.995134019e+02 6.597149088e+02 9.973098184e+02 4.340956617e+02 6.592721053e+02 0.98 9.922006659e+02 5.808213637e+02 8.829441905e+02 9.954141550e+02 9.984729705e+02 3.629671200e+02 5.952980274e+02 9.070291496e+02 3.938478939e+02 5.981332880e+02 1.00 9.041311070e+02 5.266141003e+02 8.005920961e+02 9.071000833e+02 9.100211784e+02 3.289525217e+02 5.387711225e+02 8.264566797e+02 3.575009521e+02 5.438490604e+02 1.02 8.255258649e+02 4.769454822e+02 7.244075126e+02 8.274125740e+02 8.293657105e+02 2.972747104e+02 4.889640813e+02 7.544124267e+02 3.245625315e+02 4.956807315e+02 1.04 7.551328602e+02 4.310343471e+02 6.550431728e+02 7.555685087e+02 7.561411041e+02 2.682781156e+02 4.449968409e+02 6.893102849e+02 2.946571943e+02 4.525854907e+02 1.06 6.915139424e+02 3.887069646e+02 5.933805893e+02 6.907078676e+02 6.900482683e+02 2.424887022e+02 4.060431126e+02 6.294941802e+02 2.675198388e+02 4.136670551e+02 1.08 6.328402333e+02 3.502939540e+02 5.391009696e+02 6.313010780e+02 6.298537512e+02 2.198184482e+02 3.712460255e+02 5.737868282e+02 2.429342520e+02 3.780747142e+02 1.10 5.779599081e+02 3.159390782e+02 4.912987166e+02 5.762127004e+02 5.744690174e+02 1.998764589e+02 3.399316159e+02 5.218271412e+02 2.207557160e+02 3.452355149e+02 1.12 5.265186656e+02 2.854831716e+02 4.490585049e+02 5.249828600e+02 5.233822342e+02 1.822222867e+02 3.115161056e+02 4.738649938e+02 2.008676790e+02 3.148715744e+02 1.14 4.787212705e+02 2.586348738e+02 4.111422414e+02 4.776479672e+02 4.764825269e+02 1.660621528e+02 2.855240737e+02 4.302948168e+02 1.829156964e+02 2.869085159e+02 1.16 4.352223285e+02 2.349539521e+02 3.765372347e+02 4.346655896e+02 4.340254512e+02 1.508263261e+02 2.616331136e+02 3.914412659e+02 1.664915441e+02 2.614454323e+02 1.18 3.964853098e+02 2.140439544e+02 3.446309532e+02 3.963372289e+02 3.961407600e+02 1.362863101e+02 2.396224074e+02 3.570012626e+02 1.513394691e+02 2.385655703e+02 1.20 3.620873121e+02 1.955031523e+02 3.151079228e+02 3.622023633e+02 3.623177544e+02 1.224586663e+02 2.193582650e+02 3.264441623e+02 1.373460479e+02 2.180848694e+02 1.22 3.315013487e+02 1.789689689e+02 2.878965730e+02 3.317545315e+02 3.320426656e+02 1.095786035e+02 2.008087056e+02 2.992696705e+02 1.245270600e+02 1.997715524e+02 1.24 3.042644440e+02 1.641088048e+02 2.632354238e+02 3.045925245e+02 3.049651669e+02 9.808009295e+01 1.839827120e+02 2.749882512e+02 1.128444725e+02 1.833968463e+02 1.26 2.799777925e+02 1.506773217e+02 2.410549747e+02 2.803378212e+02 2.807353906e+02 8.803901550e+01 1.685904494e+02 2.531576789e+02 1.021406980e+02 1.687390226e+02 1.28 2.582568528e+02 1.385063391e+02 2.210912445e+02 2.586148599e+02 2.589954313e+02 7.929743388e+01 1.542793480e+02 2.333820488e+02 9.223816873e+01 1.555808292e+02 1.30 2.386414858e+02 1.274507286e+02 2.031006636e+02 2.389718212e+02 2.393079457e+02 7.169445264e+01 1.408453234e+02 2.152777774e+02 8.306131359e+01 1.435288910e+02 1.32 2.206304583e+02 1.173978758e+02 1.868763775e+02 2.209176088e+02 2.211958336e+02 6.508428491e+01 1.282181280e+02 1.985186185e+02 7.463659561e+01 1.320912042e+02 1.34 2.038144241e+02 1.082332581e+02 1.722254475e+02 2.040538048e+02 2.042769884e+02 5.932366230e+01 1.164366228e+02 1.829098703e+02 6.705608332e+01 1.209572811e+02 1.36 1.879983121e+02 9.985377618e+01 1.589650486e+02 1.881872961e+02 1.883600801e+02 5.427228944e+01 1.056192326e+02 1.683895229e+02 6.039848805e+01 1.100502150e+02 1.38 1.731614247e+02 9.216799641e+01 1.469217565e+02 1.732952698e+02 1.734177297e+02 4.979664263e+01 9.592628687e+01 1.549061066e+02 5.457274667e+01 9.947236515e+01 1.40 1.593468963e+02 8.509574566e+01 1.359277196e+02 1.594222088e+02 1.594924953e+02 4.576959662e+01 8.734779190e+01 1.424494855e+02 4.945417126e+01 8.944162584e+01 1.42 1.466338929e+02 7.857190121e+01 1.258229109e+02 1.466496608e+02 1.466659373e+02 4.207150910e+01 7.974264240e+01 1.310390959e+02 4.492492854e+01 8.025705749e+01 1.44 1.350461484e+02 7.255117492e+01 1.165058841e+02 1.350078807e+02 1.349737006e+02 3.864310696e+01 7.299535438e+01 1.206595070e+02 4.089504772e+01 7.210740756e+01 1.46 1.244918354e+02 6.699994028e+01 1.079282876e+02 1.244108891e+02 1.243352385e+02 3.547628152e+01 6.698630818e+01 1.112214526e+02 3.730632815e+01 6.492019720e+01 1.48 1.148854431e+02 6.189162572e+01 1.000454095e+02 1.147745951e+02 1.146684790e+02 3.256588378e+01 6.153647437e+01 1.026405607e+02 3.410142230e+01 5.860542443e+01 1.50 1.061422526e+02 5.712184954e+01 9.280995943e+01 1.060153059e+02 1.058915149e+02 2.990120038e+01 5.650475958e+01 9.483499883e+01 3.117763138e+01 5.307295378e+01 1.52 9.818253561e+01 5.256902818e+01 8.617743688e+01 9.805329548e+01 9.792536652e+01 2.746771002e+01 5.179366940e+01 8.772704670e+01 2.844131931e+01 4.823479323e+01 1.54 9.093474357e+01 4.815940277e+01 8.010396298e+01 9.081605533e+01 9.069709837e+01 2.525164450e+01 4.734103016e+01 8.124230787e+01 2.582165682e+01 4.400565762e+01 1.56 8.433190261e+01 4.386710139e+01 7.454136419e+01 8.423290840e+01 8.413276866e+01 2.323433988e+01 4.311905806e+01 7.531448210e+01 2.327922770e+01 4.030213159e+01 1.58 7.830774279e+01 3.970497066e+01 6.940736561e+01 7.823444034e+01 7.815987318e+01 2.139750818e+01 3.912908122e+01 6.988940410e+01 2.082332984e+01 3.704284871e+01 1.60 7.279162231e+01 3.571710511e+01 6.456473093e+01 7.274833576e+01 7.270412293e+01 1.972186562e+01 3.541299937e+01 6.491701710e+01 1.848749898e+01 3.414348907e+01 1.62 6.771490431e+01 3.197900642e+01 5.990012350e+01 6.770417756e+01 6.769300887e+01 1.818889290e+01 3.203574120e+01 6.034997155e+01 1.631876319e+01 3.151909781e+01 1.64 6.302082044e+01 2.852590400e+01 5.535003471e+01 6.304191712e+01 6.306290235e+01 1.678245632e+01 2.899395798e+01 5.614445518e+01 1.436698094e+01 2.909343426e+01 1.66 5.867728975e+01 2.533095890e+01 5.088981499e+01 5.872556592e+01 5.877383448e+01 1.548669918e+01 2.626456550e+01 5.227174679e+01 1.263797918e+01 2.683467414e+01 1.68 5.466853046e+01 2.231635462e+01 4.652774064e+01 5.473512497e+01 5.480171949e+01 1.428638057e+01 2.382194771e+01 4.871297969e+01 1.111251673e+01 2.473927674e+01 1.70 5.097890458e+01 1.943272641e+01 4.230914581e+01 5.105324125e+01 5.112757791e+01 1.317167152e+01 2.164224890e+01 4.544445764e+01 9.772491019e+00 2.280473207e+01 1.72 4.758578722e+01 1.666124799e+01 3.831259024e+01 4.765915825e+01 4.773252928e+01 1.213890860e+01 1.968915618e+01 4.244233663e+01 8.600203819e+00 2.102459009e+01 1.74 4.446684032e+01 1.401451070e+01 3.463319752e+01 4.453219690e+01 4.459755348e+01 1.118516092e+01 1.791412310e+01 3.968118990e+01 7.578560597e+00 1.938903764e+01 1.76 4.159967710e+01 1.153193127e+01 3.132291796e+01 4.165147905e+01 4.170328100e+01 1.030784491e+01 1.627535517e+01 3.713275448e+01 6.691182282e+00 1.788779022e+01 1.78 3.895943533e+01 9.269815409e+00 2.836569788e+01 3.899429238e+01 3.902914943e+01 9.505865111e+00 1.474258772e+01 3.469012274e+01 5.922910552e+00 1.650945416e+01 1.80 3.652583760e+01 7.295296421e+00 2.574285198e+01 3.654264244e+01 3.655981778e+01 8.780697197e+00 1.329555807e+01 3.225237835e+01 5.260601466e+00 1.524377335e+01 1.82 3.423768455e+01 5.619622263e+00 2.340743558e+01 3.423842133e+01 3.423915811e+01 8.117633092e+00 1.191261843e+01 2.974344571e+01 4.682404043e+00 1.406467108e+01 1.84 3.195163294e+01 4.191406752e+00 2.125298167e+01 3.193966239e+01 3.192769185e+01 7.472834982e+00 1.054464989e+01 2.709075481e+01 4.142476571e+00 1.289802471e+01 1.86 2.954655025e+01 2.960631842e+00 1.918667871e+01 2.952688212e+01 2.950721399e+01 6.808459854e+00 9.162265132e+00 2.426704453e+01 3.601998657e+00 1.168542880e+01 1.88 2.695671182e+01 1.883272978e+00 1.714269294e+01 2.693417429e+01 2.691163675e+01 6.098842351e+00 7.766230504e+00 2.129147919e+01 3.032563214e+00 1.039421439e+01 1.90 2.416657392e+01 9.253745162e-01 1.508433627e+01 2.414505991e+01 2.412354591e+01 5.332675249e+00 6.376299897e+00 1.822078176e+01 2.422429381e+00 9.015870681e+00 1.92 2.120003712e+01 7.293942138e-02 1.300108789e+01 2.118245255e+01 2.116486798e+01 4.511720103e+00 5.006878086e+00 1.514334795e+01 1.775840261e+00 7.561451773e+00 1.94 1.811572058e+01 -6.802498205e-01 1.090552580e+01 1.810384271e+01 1.809196483e+01 3.649135444e+00 3.672150094e+00 1.217398123e+01 1.106388048e+00 6.059213817e+00 1.96 1.500162342e+01 -1.336525787e+00 8.829690922e+00 1.499606545e+01 1.499050749e+01 2.767804632e+00 2.394081670e+00 9.427692877e+00 4.361350568e-01 4.552164623e+00 1.98 1.197002693e+01 -1.896476065e+00 6.822738586e+00 1.197032964e+01 1.197063235e+01 1.899762303e+00 1.203186791e+00 6.947572617e+00 -2.089397178e-01 3.095649074e+00 2.00 9.152340269e+00 -2.361357665e+00 4.950969057e+00 9.157345567e+00 9.162350865e+00 1.087615442e+00 1.382306450e-01 4.761363756e+00 -7.977636784e-01 1.754459623e+00 2.02 6.665318283e+00 -2.735077045e+00 3.281403472e+00 6.673482166e+00 6.681646050e+00 3.705303768e-01 -7.682518698e-01 2.891142378e+00 -1.302008480e+00 5.859010185e-01 2.04 4.517112484e+00 -3.035248058e+00 1.820715585e+00 4.526700259e+00 4.536288034e+00 -2.480890304e-01 -1.520190094e+00 1.320514740e+00 -1.723867862e+00 -4.069731981e-01 2.06 2.685360747e+00 -3.283102694e+00 5.578771488e-01 2.694824806e+00 2.704288865e+00 -7.746476168e-01 -2.130708818e+00 2.346870330e-02 -2.077484712e+00 -1.234601959e+00 2.08 1.146130296e+00 -3.494884993e+00 -5.180120489e-01 1.154268676e+00 1.162407056e+00 -1.222649750e+00 -2.613668022e+00 -1.026462990e+00 -2.369115059e+00 -1.908337461e+00 2.10 -1.257011015e-01 -3.673696774e+00 -1.418407734e+00 -1.196906019e-01 -1.136801024e-01 -1.599426155e+00 -2.983825991e+00 -1.856531756e+00 -2.604738123e+00 -2.441357570e+00 2.12 -1.155300301e+00 -3.820687853e+00 -2.156879316e+00 -1.151817768e+00 -1.148335235e+00 -1.909451612e+00 -3.255874294e+00 -2.494072671e+00 -2.790499884e+00 -2.846670215e+00 2.14 -1.967960825e+00 -3.940947209e+00 -2.747501404e+00 -1.967004228e+00 -1.966047632e+00 -2.157455633e+00 -3.444634123e+00 -2.966365720e+00 -2.932559763e+00 -3.137382436e+00 2.16 -2.589709615e+00 -4.039141162e+00 -3.204734195e+00 -2.590917705e+00 -2.592125795e+00 -2.348616186e+00 -3.568802402e+00 -3.300850247e+00 -3.036772424e+00 -3.328381472e+00 2.18 -3.046930274e+00 -4.115447183e+00 -3.544883837e+00 -3.049815036e+00 -3.052699799e+00 -2.489766594e+00 -3.654111768e+00 -3.524853708e+00 -3.108062432e+00 -3.441980275e+00 2.20 -3.366182373e+00 -4.171759520e+00 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