# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 # composition = FeNi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 1.371398769e+02 nan nan 1.32 1.255990639e+02 nan nan 1.34 1.150756530e+02 nan nan 1.36 1.054557860e+02 nan nan 1.38 9.664261219e+01 nan nan 1.40 8.854895724e+01 nan nan 1.42 8.110010501e+01 1.369815784e+02 nan 1.44 7.422970657e+01 1.262993939e+02 nan 1.46 6.787747396e+01 1.164487983e+02 1.353434740e+02 1.48 6.199330710e+01 1.073446794e+02 1.250348155e+02 1.50 5.653272575e+01 9.890974854e+01 1.155429451e+02 1.52 5.145524346e+01 9.107664026e+01 1.067892692e+02 1.54 4.672513331e+01 8.378406795e+01 9.870583302e+01 1.56 4.230960467e+01 7.698070852e+01 9.123406986e+01 1.58 3.817973759e+01 7.062811496e+01 8.431727454e+01 1.60 3.431097426e+01 6.469457194e+01 7.790078360e+01 1.62 3.068309711e+01 5.915196470e+01 7.193496109e+01 1.64 2.727808422e+01 5.397471328e+01 6.637445670e+01 1.66 2.408250218e+01 4.913927786e+01 6.117786625e+01 1.68 2.108583305e+01 4.462401288e+01 5.630639821e+01 1.70 1.827859400e+01 4.041016650e+01 5.172658138e+01 1.72 1.565167852e+01 3.648051493e+01 4.741055860e+01 1.74 1.319876833e+01 3.281877315e+01 4.333494770e+01 1.76 1.091874949e+01 2.941134069e+01 3.948013776e+01 1.78 8.811407800e+00 2.624637100e+01 3.582966605e+01 1.80 6.876681881e+00 2.331063094e+01 3.237194214e+01 1.82 5.116893648e+00 2.059095896e+01 2.910013209e+01 1.84 3.535977391e+00 1.807664474e+01 2.600991827e+01 1.86 2.136497167e+00 1.576290721e+01 2.309781296e+01 1.88 9.192834200e-01 1.364456081e+01 2.036042564e+01 1.90 -1.156308585e-01 1.170432583e+01 1.779503392e+01 1.92 -9.648331901e-01 9.921277138e+00 1.539934928e+01 1.94 -1.628824502e+00 8.274671628e+00 1.317141426e+01 1.96 -2.134177548e+00 6.745682791e+00 1.110906672e+01 1.98 -2.517572657e+00 5.328187916e+00 9.207941344e+00 2.00 -2.815717707e+00 4.020873830e+00 7.462113955e+00 2.02 -3.063578507e+00 2.822542460e+00 5.865711643e+00 2.04 -3.277751983e+00 1.733386388e+00 4.415765711e+00 2.06 -3.463464490e+00 7.525607023e-01 3.109249004e+00 2.08 -3.624438001e+00 -1.218720434e-01 1.941824800e+00 2.10 -3.763462070e+00 -8.928361828e-01 9.078866833e-01 2.12 -3.882586361e+00 -1.562853302e+00 2.683041065e-03 2.14 -3.983047620e+00 -2.130568897e+00 -7.725127009e-01 2.16 -4.065754873e+00 -2.594147540e+00 -1.415233533e+00 2.18 -4.131576656e+00 -2.961595785e+00 -1.935500926e+00 2.20 -4.181366418e+00 -3.250073430e+00 -2.355649055e+00 2.22 -4.215966933e+00 -3.476914329e+00 -2.698503295e+00 2.24 -4.236128556e+00 -3.659400158e+00 -2.986947766e+00 2.26 -4.242722359e+00 -3.813249990e+00 -3.241691915e+00 2.28 -4.237267896e+00 -3.944520664e+00 -3.469023870e+00 2.30 -4.221518543e+00 -4.055133621e+00 -3.669718622e+00 2.32 -4.197471537e+00 -4.146783139e+00 -3.844529507e+00 2.34 -4.167157852e+00 -4.221158740e+00 -3.994255792e+00 2.36 -4.132380339e+00 -4.279927761e+00 -4.119963003e+00 2.38 -4.094039273e+00 -4.324548722e+00 -4.222977140e+00 2.40 -4.052911632e+00 -4.356313706e+00 -4.304946224e+00 2.42 -4.009796256e+00 -4.376474978e+00 -4.367731757e+00 2.44 -3.965317066e+00 -4.386279220e+00 -4.413195567e+00 2.46 -3.919993665e+00 -4.386967879e+00 -4.443196481e+00 2.48 -3.874341171e+00 -4.379774057e+00 -4.459590459e+00 2.50 -3.828871245e+00 -4.365817333e+00 -4.464222190e+00 2.52 -3.784039757e+00 -4.346023368e+00 -4.458836145e+00 2.54 -3.740085345e+00 -4.321208009e+00 -4.444840487e+00 2.56 -3.697075604e+00 -4.292260120e+00 -4.423523411e+00 2.58 -3.654957768e+00 -4.260018934e+00 -4.396157342e+00 2.60 -3.613670447e+00 -4.225245993e+00 -4.364013054e+00 2.62 -3.573179450e+00 -4.188641643e+00 -4.328411440e+00 2.64 -3.533478756e+00 -4.150660492e+00 -4.290393222e+00 2.66 -3.494560053e+00 -4.111349036e+00 -4.250408383e+00 2.68 -3.456406981e+00 -4.070703582e+00 -4.208844596e+00 2.70 -3.418892526e+00 -4.028715207e+00 -4.166087277e+00 2.72 -3.381771465e+00 -3.985380097e+00 -4.122516783e+00 2.74 -3.344788118e+00 -3.940784844e+00 -4.078452603e+00 2.76 -3.307681504e+00 -3.895064614e+00 -4.034092024e+00 2.78 -3.270189496e+00 -3.848354325e+00 -3.989522764e+00 2.80 -3.232125239e+00 -3.800788139e+00 -3.944821240e+00 2.82 -3.193368841e+00 -3.752499379e+00 -3.900060732e+00 2.84 -3.153802089e+00 -3.703620458e+00 -3.855311213e+00 2.86 -3.113306220e+00 -3.654282786e+00 -3.810639179e+00 2.88 -3.071761897e+00 -3.604616685e+00 -3.766107458e+00 2.90 -3.029051193e+00 -3.554751287e+00 -3.721775012e+00 2.92 -2.985059147e+00 -3.504798172e+00 -3.677713668e+00 2.94 -2.939671207e+00 -3.454898487e+00 -3.634050766e+00 2.96 -2.892771013e+00 -3.405248612e+00 -3.590915020e+00 2.98 -2.844219483e+00 -3.355983355e+00 -3.548339657e+00 3.00 -2.793862923e+00 -3.307189648e+00 -3.506286760e+00 3.02 -2.741586246e+00 -3.258886507e+00 -3.464673081e+00 3.04 -2.687508485e+00 -3.211053812e+00 -3.423421305e+00 3.06 -2.631836192e+00 -3.163668846e+00 -3.382454261e+00 3.08 -2.574776136e+00 -3.116706556e+00 -3.341692016e+00 3.10 -2.516535117e+00 -3.070139395e+00 -3.301054427e+00 3.12 -2.457319939e+00 -3.023937138e+00 -3.260461282e+00 3.14 -2.397337470e+00 -2.978066695e+00 -3.219832276e+00 3.16 -2.336808992e+00 -2.932491904e+00 -3.179086995e+00 3.18 -2.275985187e+00 -2.887174195e+00 -3.138144887e+00 3.20 -2.215120140e+00 -2.842106848e+00 -3.096925245e+00 3.22 -2.154467677e+00 -2.797327778e+00 -3.055347172e+00 3.24 -2.094281288e+00 -2.752872866e+00 -3.013329555e+00 3.26 -2.034814037e+00 -2.708689792e+00 -2.970791029e+00 3.28 -1.976318462e+00 -2.664648360e+00 -2.927649942e+00 3.30 -1.919046462e+00 -2.620615229e+00 -2.883824315e+00 3.32 -1.863249170e+00 -2.576456533e+00 -2.839231797e+00 3.34 -1.809175959e+00 -2.532039095e+00 -2.793789618e+00 3.36 -1.756975742e+00 -2.487241232e+00 -2.747412869e+00 3.38 -1.706604848e+00 -2.441989694e+00 -2.700057693e+00 3.40 -1.657996411e+00 -2.396321942e+00 -2.651831816e+00 3.42 -1.611081787e+00 -2.350292428e+00 -2.602868633e+00 3.44 -1.565790246e+00 -2.303954330e+00 -2.553300086e+00 3.46 -1.522048885e+00 -2.257359935e+00 -2.503257254e+00 3.48 -1.479782350e+00 -2.210560618e+00 -2.452870321e+00 3.50 -1.438912533e+00 -2.163606772e+00 -2.402268494e+00 3.52 -1.399357477e+00 -2.116547728e+00 -2.351579896e+00 3.54 -1.361028717e+00 -2.069431669e+00 -2.300931467e+00 3.56 -1.323833185e+00 -2.022306713e+00 -2.250448846e+00 3.58 -1.287673561e+00 -1.975252232e+00 -2.200256249e+00 3.60 -1.252447823e+00 -1.928382744e+00 -2.150476338e+00 3.62 -1.218048794e+00 -1.881814544e+00 -2.101230077e+00 3.64 -1.184363566e+00 -1.835663862e+00 -2.052636582e+00 3.66 -1.151272980e+00 -1.790046822e+00 -2.004812948e+00 3.68 -1.118658142e+00 -1.745079400e+00 -1.957877781e+00 3.70 -1.086485061e+00 -1.700877365e+00 -1.911970509e+00 3.72 -1.054780807e+00 -1.657556199e+00 -1.867238319e+00 3.74 -1.023573596e+00 -1.615225623e+00 -1.823820760e+00 3.76 -9.928914960e-01 -1.573915812e+00 -1.781739510e+00 3.78 -9.627623532e-01 -1.533591566e+00 -1.740918228e+00 3.80 -9.332136974e-01 -1.494215103e+00 -1.701276683e+00 3.82 -9.042726489e-01 -1.455747908e+00 -1.662733595e+00 3.84 -8.759657705e-01 -1.418150591e+00 -1.625206518e+00 3.86 -8.483200679e-01 -1.381385623e+00 -1.588616050e+00 3.88 -8.213636791e-01 -1.345425831e+00 -1.552898681e+00 3.90 -7.951038565e-01 -1.310245568e+00 -1.517993662e+00 3.92 -7.695361424e-01 -1.275817581e+00 -1.483838518e+00 3.94 -7.446552361e-01 -1.242112846e+00 -1.450368869e+00 3.96 -7.204535101e-01 -1.209100266e+00 -1.417518245e+00 3.98 -6.969216026e-01 -1.176746420e+00 -1.385217881e+00 4.00 -6.740486246e-01 -1.145015282e+00 -1.353396475e+00 4.02 -6.518198116e-01 -1.113867881e+00 -1.321979948e+00 4.04 -6.302193780e-01 -1.083261949e+00 -1.290891157e+00 4.06 -6.092267307e-01 -1.053151530e+00 -1.260049575e+00 4.08 -5.888181900e-01 -1.023486547e+00 -1.229370926e+00 4.10 -5.689693040e-01 -9.942123094e-01 -1.198766802e+00 4.12 -5.496429536e-01 -9.652809804e-01 -1.168163319e+00 4.14 -5.308073902e-01 -9.366902068e-01 -1.137560000e+00 4.16 -5.124233286e-01 -9.084496052e-01 -1.106975201e+00 4.18 -4.944318553e-01 -8.805682347e-01 -1.076427366e+00 4.20 -4.767906532e-01 -8.530544076e-01 -1.045935026e+00 4.22 -4.593480502e-01 -8.259163954e-01 -1.015516797e+00 4.24 -4.420965496e-01 -7.991613160e-01 -9.851914043e-01 4.26 -4.254275443e-01 -7.727950161e-01 -9.549776663e-01 4.28 -4.096310186e-01 -7.468237637e-01 -9.248945365e-01 4.30 -3.937687073e-01 -7.212498661e-01 -8.949609513e-01 4.32 -3.770006313e-01 -6.960769893e-01 -8.651945235e-01 4.34 -3.589195760e-01 -6.713015024e-01 -8.356120348e-01 4.36 -3.400020194e-01 -6.469227068e-01 -8.062303319e-01 4.38 -3.213635820e-01 -6.229352796e-01 -7.770666619e-01 4.40 -3.037978881e-01 -5.993268054e-01 -7.481384508e-01 4.42 -2.877290976e-01 -5.760962160e-01 -7.194625362e-01 4.44 -2.735609811e-01 -5.532150947e-01 -6.910567479e-01 4.46 -2.608626172e-01 -5.306633159e-01 -6.629396089e-01 4.48 -2.489201015e-01 -5.084382291e-01 -6.351268515e-01 4.50 -2.371882861e-01 -4.864451381e-01 -6.076404343e-01 4.52 -2.252760661e-01 -4.645004410e-01 -5.804931043e-01 4.54 -2.129257260e-01 -4.429275591e-01 -5.537114492e-01 4.56 -1.999897477e-01 -4.219872009e-01 -5.273019608e-01 4.58 -1.863996324e-01 -4.018968864e-01 -5.013039366e-01 4.60 -1.720959402e-01 -3.829040596e-01 -4.757018249e-01 4.62 -1.574349038e-01 -3.643411848e-01 -4.505455896e-01 4.64 -1.427836154e-01 -3.454978649e-01 -4.257905515e-01 4.66 -1.284302746e-01 -3.257380541e-01 -4.010525847e-01 4.68 -1.146211810e-01 -3.053739817e-01 -3.771407741e-01 4.70 -1.015326006e-01 -2.848036482e-01 -3.547670376e-01 4.72 -8.928155665e-02 -2.644999417e-01 -3.345170079e-01 4.74 -7.793838089e-02 -2.440392019e-01 -3.150236080e-01 4.76 -6.753555464e-02 -2.228416821e-01 -2.946738366e-01 4.78 -5.807547444e-02 -2.007480947e-01 -2.727948484e-01 4.80 -4.953998117e-02 -1.778890587e-01 -2.485838945e-01 4.82 -4.189633828e-02 -1.545373971e-01 -2.215281283e-01 4.84 -3.510180768e-02 -1.316863659e-01 -1.928676222e-01 4.86 -2.910722411e-02 -1.102557522e-01 -1.640752836e-01 4.88 -2.385972524e-02 -9.077310953e-02 -1.364403472e-01 4.90 -1.930477801e-02 -7.348899802e-02 -1.110952994e-01 4.92 -1.538762608e-02 -5.846520336e-02 -8.862607081e-02 4.94 -1.205426887e-02 -4.564078343e-02 -6.923475595e-02 4.96 -9.252068584e-03 -3.488018465e-02 -5.287934344e-02 4.98 -6.930069083e-03 -2.600710802e-02 -3.937335402e-02 5.00 -5.039098437e-03 -1.882728094e-02 -2.845417026e-02 5.02 -3.531715932e-03 -1.314280834e-02 -1.982749869e-02 5.04 -2.362054358e-03 -8.760333439e-03 -1.319417251e-02 5.06 -1.485599169e-03 -5.494836371e-03 -8.264382762e-03 5.08 -8.589378678e-04 -3.170536354e-03 -4.763417608e-03 5.10 -4.395056580e-04 -1.620041230e-03 -2.432093131e-03 5.12 -1.853469759e-04 -6.826064041e-04 -1.024274971e-03 5.14 -5.490703046e-05 -2.021237057e-04 -3.032178075e-04 5.16 -6.862890557e-06 -2.525945417e-05 -3.788968614e-05 5.18 2.053414957e-10 4.203796732e-10 8.316330578e-10 5.20 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