# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Fe3Ni # 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 -6.664815822e+02 nan nan 0.96 -6.234154299e+02 nan nan 0.98 -5.846444235e+02 nan nan 1.00 -5.489438706e+02 nan nan 1.02 -5.156770562e+02 nan nan 1.04 -4.847483375e+02 -6.382944349e+02 nan 1.06 -4.557837249e+02 -6.015498611e+02 -6.561814808e+02 1.08 -4.280640926e+02 -5.677443050e+02 -6.185454692e+02 1.10 -4.019417965e+02 -5.362610391e+02 -5.843110311e+02 1.12 -3.774896810e+02 -5.071007264e+02 -5.525125498e+02 1.14 -3.549347649e+02 -4.800376503e+02 -5.223967306e+02 1.16 -3.334138688e+02 -4.542423815e+02 -4.935990323e+02 1.18 -3.132407468e+02 -4.293408500e+02 -4.662753077e+02 1.20 -2.945477462e+02 -4.045699642e+02 -4.404937958e+02 1.22 -2.774430558e+02 -3.800352377e+02 -4.161020243e+02 1.24 -2.613541784e+02 -3.569562001e+02 -3.934129786e+02 1.26 -2.459594689e+02 -3.362792641e+02 -3.723892447e+02 1.28 -2.308447491e+02 -3.174073220e+02 -3.530497297e+02 1.30 -2.158962011e+02 -3.003422648e+02 -3.351396382e+02 1.32 -2.014578387e+02 -2.848538654e+02 -3.182362188e+02 1.34 -1.878655603e+02 -2.708827367e+02 -3.023695762e+02 1.36 -1.749142500e+02 -2.577245077e+02 -2.871036826e+02 1.38 -1.628027223e+02 -2.449390557e+02 -2.722590926e+02 1.40 -1.516080824e+02 -2.319489502e+02 -2.579791246e+02 1.42 -1.411337414e+02 -2.190970667e+02 -2.442639497e+02 1.44 -1.309888639e+02 -2.066137252e+02 -2.310916448e+02 1.46 -1.209718337e+02 -1.943110841e+02 -2.179665815e+02 1.48 -1.113783683e+02 -1.823036088e+02 -2.049230356e+02 1.50 -1.024298214e+02 -1.703488415e+02 -1.922608832e+02 1.52 -9.416148924e+01 -1.583611344e+02 -1.804433640e+02 1.54 -8.616052805e+01 -1.464359511e+02 -1.696947244e+02 1.56 -7.843905917e+01 -1.348452319e+02 -1.596111531e+02 1.58 -7.092450471e+01 -1.239445708e+02 -1.500678263e+02 1.60 -6.376432120e+01 -1.141135772e+02 -1.408040445e+02 1.62 -5.708118909e+01 -1.054873249e+02 -1.317224646e+02 1.64 -5.075452082e+01 -9.778240588e+01 -1.228074887e+02 1.66 -4.471518030e+01 -9.056830500e+01 -1.141151074e+02 1.68 -3.876416440e+01 -8.380971788e+01 -1.053249300e+02 1.70 -3.285387791e+01 -7.732469407e+01 -9.685451839e+01 1.72 -2.700072507e+01 -7.101712015e+01 -8.862013695e+01 1.74 -2.129349364e+01 -6.471263533e+01 -8.060891003e+01 1.76 -1.596567446e+01 -5.837446274e+01 -7.297564618e+01 1.78 -1.174355486e+01 -5.215301092e+01 -6.573976075e+01 1.80 -8.673638842e+00 -4.612669739e+01 -5.897793175e+01 1.82 -6.497364089e+00 -4.041620142e+01 -5.269915507e+01 1.84 -5.009754322e+00 -3.503559625e+01 -4.705248120e+01 1.86 -4.001951788e+00 -2.997678386e+01 -4.192538179e+01 1.88 -3.345379817e+00 -2.516356324e+01 -3.716542815e+01 1.90 -2.957432013e+00 -2.057707520e+01 -3.256488532e+01 1.92 -2.773671695e+00 -1.627302258e+01 -2.810854783e+01 1.94 -2.735437192e+00 -1.262831177e+01 -2.372958962e+01 1.96 -2.795263490e+00 -9.747728429e+00 -1.940353594e+01 1.98 -2.901310855e+00 -7.557801060e+00 -1.517823911e+01 2.00 -3.027246697e+00 -5.892752173e+00 -1.148900748e+01 2.02 -3.155999834e+00 -4.636741359e+00 -8.422737072e+00 2.04 -3.277311307e+00 -3.747410497e+00 -6.151957450e+00 2.06 -3.394149969e+00 -3.162434297e+00 -4.668518375e+00 2.08 -3.506879397e+00 -2.831760879e+00 -3.781042686e+00 2.10 -3.612631438e+00 -2.698469481e+00 -3.298688122e+00 2.12 -3.707749285e+00 -2.703003864e+00 -3.069370714e+00 2.14 -3.796863918e+00 -2.791610734e+00 -2.987709713e+00 2.16 -3.871555003e+00 -2.929410801e+00 -3.002520023e+00 2.18 -3.934896910e+00 -3.088158560e+00 -3.077468040e+00 2.20 -3.996646274e+00 -3.252721962e+00 -3.188338043e+00 2.22 -4.046930180e+00 -3.412189772e+00 -3.314480602e+00 2.24 -4.091536162e+00 -3.561816677e+00 -3.441247916e+00 2.26 -4.129470808e+00 -3.700167806e+00 -3.557091839e+00 2.28 -4.159441880e+00 -3.826103907e+00 -3.658904703e+00 2.30 -4.178958218e+00 -3.938588019e+00 -3.745135902e+00 2.32 -4.185399961e+00 -4.035566526e+00 -3.828607674e+00 2.34 -4.178225675e+00 -4.124907820e+00 -3.917320209e+00 2.36 -4.158046388e+00 -4.192213696e+00 -4.012094496e+00 2.38 -4.125845209e+00 -4.241595173e+00 -4.108028471e+00 2.40 -4.082754258e+00 -4.284482559e+00 -4.197269268e+00 2.42 -4.030169398e+00 -4.308561007e+00 -4.272663396e+00 2.44 -3.969634432e+00 -4.321134762e+00 -4.329432203e+00 2.46 -3.902828892e+00 -4.323885011e+00 -4.370142663e+00 2.48 -3.831500480e+00 -4.318045785e+00 -4.393166687e+00 2.50 -3.757227615e+00 -4.304491733e+00 -4.404395739e+00 2.52 -3.681147768e+00 -4.283683622e+00 -4.407097710e+00 2.54 -3.603959984e+00 -4.255983434e+00 -4.402868892e+00 2.56 -3.529087893e+00 -4.221679342e+00 -4.392466530e+00 2.58 -3.454976653e+00 -4.180983891e+00 -4.376313164e+00 2.60 -3.384500104e+00 -4.135695037e+00 -4.354333999e+00 2.62 -3.319177276e+00 -4.084729931e+00 -4.326193039e+00 2.64 -3.261187810e+00 -4.029334622e+00 -4.291415931e+00 2.66 -3.212168038e+00 -3.970195683e+00 -4.249559039e+00 2.68 -3.173708697e+00 -3.907970721e+00 -4.200335461e+00 2.70 -3.153158930e+00 -3.843411499e+00 -4.152010328e+00 2.72 -3.144266157e+00 -3.777465645e+00 -4.093417311e+00 2.74 -3.145081797e+00 -3.711227931e+00 -4.029545411e+00 2.76 -3.132034225e+00 -3.645835027e+00 -3.961009165e+00 2.78 -3.078723336e+00 -3.582392234e+00 -3.888844048e+00 2.80 -2.959196587e+00 -3.521717766e+00 -3.814118941e+00 2.82 -2.748831759e+00 -3.464249020e+00 -3.737870777e+00 2.84 -2.427519959e+00 -3.409991925e+00 -3.661070395e+00 2.86 -1.984254860e+00 -3.358748901e+00 -3.584717162e+00 2.88 -1.422185684e+00 -3.310457877e+00 -3.509886576e+00 2.90 -7.851760683e-01 -3.265411396e+00 -3.437750756e+00 2.92 -1.413184263e-01 -3.224123061e+00 -3.369594937e+00 2.94 4.633444476e-01 -3.187385935e+00 -3.306828568e+00 2.96 1.006041699e+00 -3.156220793e+00 -3.250970829e+00 2.98 1.481160732e+00 -3.130494353e+00 -3.203599129e+00 3.00 1.898319100e+00 -3.105712845e+00 -3.168149959e+00 3.02 2.259308382e+00 -3.073600626e+00 -3.146953411e+00 3.04 2.567098003e+00 -3.023043568e+00 -3.138208549e+00 3.06 2.827717323e+00 -2.945956975e+00 -3.143401794e+00 3.08 3.043656658e+00 -2.833217967e+00 -3.148510315e+00 3.10 3.217196665e+00 -2.675973707e+00 -3.130215789e+00 3.12 3.351245512e+00 -2.466072345e+00 -3.069921242e+00 3.14 3.449730462e+00 -2.186401918e+00 -2.957133938e+00 3.16 3.517531193e+00 -1.837375538e+00 -2.789987548e+00 3.18 3.560219006e+00 -1.408536738e+00 -2.573227039e+00 3.20 3.583710297e+00 -9.039723819e-01 -2.314225800e+00 3.22 3.575343162e+00 -3.458344739e-01 -2.019248504e+00 3.24 3.561073512e+00 2.364781974e-01 -1.692087345e+00 3.26 3.535982855e+00 8.135546710e-01 -1.334770508e+00 3.28 3.503118911e+00 1.358524839e+00 -9.543885971e-01 3.30 3.465105667e+00 1.849657261e+00 -5.600346755e-01 3.32 3.424143296e+00 2.272706706e+00 -1.594661734e-01 3.34 3.383417123e+00 2.622026850e+00 2.400550311e-01 3.36 3.342327831e+00 2.899810251e+00 6.317096296e-01 3.38 3.302772083e+00 3.113724582e+00 1.009472520e+00 3.40 3.265500460e+00 3.273936775e+00 1.368352377e+00 3.42 3.230970407e+00 3.390561954e+00 1.704443677e+00 3.44 3.199395656e+00 3.472059910e+00 2.014897594e+00 3.46 3.170859608e+00 3.524759860e+00 2.297855051e+00 3.48 3.146899367e+00 3.553136333e+00 2.580207666e+00 3.50 3.125520506e+00 3.560408494e+00 2.816362660e+00 3.52 3.107531930e+00 3.549162024e+00 3.024220598e+00 3.54 3.092796358e+00 3.521828003e+00 3.203383045e+00 3.56 3.081091678e+00 3.480948840e+00 3.353598526e+00 3.58 3.072126195e+00 3.429222933e+00 3.474697921e+00 3.60 3.065551715e+00 3.369428966e+00 3.566545894e+00 3.62 3.060976149e+00 3.304372175e+00 3.629013024e+00 3.64 3.057974364e+00 3.236845115e+00 3.661978099e+00 3.66 3.056098242e+00 3.169596569e+00 3.665370542e+00 3.68 3.054882708e+00 3.076453932e+00 3.639257490e+00 3.70 3.053860115e+00 2.999127760e+00 3.584023750e+00 3.72 3.052738841e+00 2.922644211e+00 3.500712636e+00 3.74 3.051419219e+00 2.847995729e+00 3.391293723e+00 3.76 3.049805540e+00 2.776018811e+00 3.258899061e+00 3.78 3.047787521e+00 2.707405571e+00 3.107975148e+00 3.80 3.045249097e+00 2.642713415e+00 2.944236593e+00 3.82 3.042067424e+00 2.582376688e+00 2.774340769e+00 3.84 3.038114382e+00 2.526717228e+00 2.605267476e+00 3.86 3.033250390e+00 2.475954407e+00 2.443514590e+00 3.88 3.027295929e+00 2.430220069e+00 2.294353143e+00 3.90 3.020022744e+00 2.389556247e+00 2.161267527e+00 3.92 3.011128259e+00 2.353919949e+00 2.045787191e+00 3.94 3.000280345e+00 2.323250737e+00 1.947758198e+00 3.96 2.987125656e+00 2.297524559e+00 1.865835827e+00 3.98 2.971285893e+00 2.276668344e+00 1.798075396e+00 4.00 2.952351191e+00 2.260553986e+00 1.742441998e+00 4.02 2.929876194e+00 2.249004535e+00 1.697162632e+00 4.04 2.903373972e+00 2.241799548e+00 1.660903459e+00 4.06 2.872308517e+00 2.238681061e+00 1.632806940e+00 4.08 2.836081258e+00 2.239358505e+00 1.612429800e+00 4.10 2.794034228e+00 2.243513614e+00 1.599623809e+00 4.12 2.745452207e+00 2.250804324e+00 1.594384924e+00 4.14 2.689567957e+00 2.260852374e+00 1.596713159e+00 4.16 2.625574013e+00 2.273235671e+00 1.606559679e+00 4.18 2.552643704e+00 2.287517057e+00 1.623826619e+00 4.20 2.469970419e+00 2.303250894e+00 1.648369237e+00 4.22 2.376826465e+00 2.319992129e+00 1.680010347e+00 4.24 2.272639829e+00 2.337290930e+00 1.718531927e+00 4.26 2.157117515e+00 2.354693808e+00 1.732017306e+00 4.28 2.030608122e+00 2.371743001e+00 1.770207549e+00 4.30 1.894224025e+00 2.387977906e+00 1.811348030e+00 4.32 1.749835390e+00 2.402934991e+00 1.854883860e+00 4.34 1.600168758e+00 2.416147475e+00 1.900272242e+00 4.36 1.448820291e+00 2.427147882e+00 1.946989357e+00 4.38 1.300122538e+00 2.435467098e+00 1.994530098e+00 4.40 1.158849351e+00 2.440638817e+00 2.042413374e+00 4.42 1.029752338e+00 2.442202956e+00 2.090181854e+00 4.44 9.170051171e-01 2.439713703e+00 2.137405296e+00 4.46 8.236611709e-01 2.432752373e+00 2.183680900e+00 4.48 7.512598258e-01 2.420941509e+00 2.228632275e+00 4.50 6.996840410e-01 2.403970145e+00 2.271910706e+00 4.52 6.673001036e-01 2.381632262e+00 2.313192781e+00 4.54 6.513640289e-01 2.353990374e+00 2.352225309e+00 4.56 6.485495615e-01 2.321467298e+00 2.388958697e+00 4.58 6.553609818e-01 2.284737534e+00 2.423391626e+00 4.60 6.685216577e-01 2.244724317e+00 2.455526667e+00 4.62 6.852367700e-01 2.202600097e+00 2.485366040e+00 4.64 7.033300306e-01 2.159751439e+00 2.512912046e+00 4.66 7.212641366e-01 2.117700349e+00 2.538166215e+00 4.68 7.380986447e-01 2.077982423e+00 2.561128005e+00 4.70 7.533884031e-01 2.041993386e+00 2.581793189e+00 4.72 7.670604383e-01 2.010831700e+00 2.600153377e+00 4.74 7.792849123e-01 1.985170263e+00 2.616194615e+00 4.76 7.903481185e-01 1.965181935e+00 2.629893394e+00 4.78 8.005561558e-01 1.950522065e+00 2.641187927e+00 4.80 8.102125352e-01 1.940404561e+00 2.649975068e+00 4.82 8.196284700e-01 1.933750415e+00 2.656137878e+00 4.84 8.291256203e-01 1.929320143e+00 2.659545380e+00 4.86 8.390347803e-01 1.925843288e+00 2.660048916e+00 4.88 8.496980012e-01 1.922126540e+00 2.657480689e+00 4.90 8.253266858e-01 1.917124215e+00 2.651651290e+00 4.92 8.234115065e-01 1.909971897e+00 2.642347585e+00 4.94 8.195889795e-01 1.899991414e+00 2.629328692e+00 4.96 8.138065221e-01 1.886676107e+00 2.612324484e+00 4.98 8.060069551e-01 1.869664190e+00 2.591033524e+00 5.00 7.961315716e-01 1.848703885e+00 2.565120346e+00 5.02 7.841150018e-01 1.823616479e+00 2.534213478e+00 5.04 7.698877673e-01 1.794263174e+00 2.497907984e+00 5.06 7.533782202e-01 1.760508777e+00 2.455762945e+00 5.08 7.345143974e-01 1.722214414e+00 2.407307665e+00 5.10 7.132290077e-01 1.679243555e+00 2.352048122e+00 5.12 6.894624443e-01 1.631470764e+00 2.289476157e+00 5.14 6.631704541e-01 1.578796589e+00 2.219087584e+00 5.16 6.343313130e-01 1.521163916e+00 2.140402954e+00 5.18 6.029553128e-01 1.458581947e+00 2.053000021e+00 5.20 5.690956442e-01 1.373705693e+00 1.956550666e+00 5.22 5.328692783e-01 1.294635987e+00 1.850905028e+00 5.24 4.945163570e-01 1.209742853e+00 1.736301188e+00 5.26 4.543726411e-01 1.119588356e+00 1.613330980e+00 5.28 4.128565685e-01 1.024969162e+00 1.482946889e+00 5.30 3.704714471e-01 9.269400115e-01 1.346511371e+00 5.32 3.278006142e-01 8.268221357e-01 1.205824464e+00 5.34 2.854944040e-01 7.261861006e-01 1.063112315e+00 5.36 2.442454592e-01 6.268027414e-01 9.209648270e-01 5.38 2.061710212e-01 5.305627600e-01 7.822206236e-01 5.40 1.696159320e-01 4.393595139e-01 6.497896010e-01 5.42 1.361895140e-01 3.549570427e-01 5.264449838e-01 5.44 1.063701171e-01 2.788466014e-01 4.145916534e-01 5.46 8.047674441e-02 2.121256825e-01 3.160637795e-01 5.48 5.862857959e-02 1.554109816e-01 2.319733201e-01 5.50 4.078339191e-02 1.088048683e-01 1.626425721e-01 5.52 2.675662124e-02 7.190027483e-02 1.076248058e-01 5.54 1.619413979e-02 4.389989611e-02 6.581411796e-02 5.56 8.633681976e-03 2.372066477e-02 3.558795608e-02 5.58 3.557693713e-03 1.010717324e-02 1.516487620e-02 5.60 4.392899127e-04 1.699275410e-03 2.549309274e-03 5.62 -1.220360400e-03 -2.823510932e-03 -4.235155041e-03 5.64 -1.866073991e-03 -4.642027982e-03 -6.962346418e-03 5.66 -1.872800507e-03 -4.750246518e-03 -7.124518030e-03 5.68 -1.537655565e-03 -3.935049494e-03 -5.901962776e-03 5.70 -1.079220100e-03 -2.775672847e-03 -4.163203400e-03 5.72 -6.430459427e-04 -1.659014004e-03 -2.488412671e-03 5.74 -3.098219756e-04 -8.008508935e-04 -1.201251359e-03 5.76 -1.062670419e-04 -2.749387744e-04 -4.124052394e-04 5.78 -1.768755723e-05 -4.577351218e-05 -6.866018745e-05 5.80 -7.473078360e-10 -2.862828933e-09 -4.294243393e-09 5.82 5.682424420e-06 1.475888491e-05 2.213833582e-05 5.84 6.340378063e-05 1.643286793e-04 2.464940582e-04 5.86 2.370460949e-04 6.141279274e-04 9.212062107e-04 5.88 5.905155153e-04 1.529886153e-03 2.294915780e-03 5.90 1.187729121e-03 3.077267885e-03 4.616236224e-03 5.92 2.092799285e-03 5.422596305e-03 8.134858709e-03 5.94 3.369742177e-03 8.732275857e-03 1.310064375e-02 5.96 5.082796307e-03 1.317327848e-02 1.976416814e-02 5.98 7.296131173e-03 1.891174074e-02 2.837417908e-02 6.00 4.028561909e-03 1.273331973e-02 1.772016754e-02