# 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 = CrNi3 # 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 -3.464982185e+02 nan nan 0.96 -3.240713606e+02 nan nan 0.98 -3.036317292e+02 nan nan 1.00 -2.847909864e+02 nan nan 1.02 -2.674263958e+02 nan nan 1.04 -2.514678770e+02 -3.322551106e+02 nan 1.06 -2.367019820e+02 -3.129664065e+02 -3.422287183e+02 1.08 -2.228716043e+02 -2.952034073e+02 -3.227937166e+02 1.10 -2.098933434e+02 -2.787534986e+02 -3.046061364e+02 1.12 -1.976679319e+02 -2.633657345e+02 -2.875230028e+02 1.14 -1.862367284e+02 -2.488903568e+02 -2.715003888e+02 1.16 -1.755166055e+02 -2.351685872e+02 -2.565104144e+02 1.18 -1.655311098e+02 -2.222310458e+02 -2.425684579e+02 1.20 -1.561464753e+02 -2.101009423e+02 -2.297088927e+02 1.22 -1.472176507e+02 -1.987818087e+02 -2.178700024e+02 1.24 -1.385464161e+02 -1.882879791e+02 -2.069033921e+02 1.26 -1.300115784e+02 -1.785799376e+02 -1.965908920e+02 1.28 -1.215775251e+02 -1.694798300e+02 -1.867757590e+02 1.30 -1.132640624e+02 -1.608949557e+02 -1.773714322e+02 1.32 -1.050961073e+02 -1.526903600e+02 -1.683383419e+02 1.34 -9.711276242e+01 -1.447896387e+02 -1.596859981e+02 1.36 -8.932012623e+01 -1.370887805e+02 -1.513611370e+02 1.38 -8.175902107e+01 -1.295791105e+02 -1.433501307e+02 1.40 -7.445300230e+01 -1.222007063e+02 -1.356436479e+02 1.42 -6.738701355e+01 -1.149432717e+02 -1.281933632e+02 1.44 -6.056193712e+01 -1.077570430e+02 -1.209741609e+02 1.46 -5.396691853e+01 -1.005628054e+02 -1.138782509e+02 1.48 -4.763405244e+01 -9.337870829e+01 -1.068799753e+02 1.50 -4.155398284e+01 -8.618328814e+01 -9.996690947e+01 1.52 -3.573200481e+01 -7.899203801e+01 -9.313230892e+01 1.54 -3.015991546e+01 -7.184319275e+01 -8.638359537e+01 1.56 -2.488841251e+01 -6.478688702e+01 -7.970365042e+01 1.58 -1.993213395e+01 -5.786824319e+01 -7.314565891e+01 1.60 -1.530349561e+01 -5.114469548e+01 -6.672921766e+01 1.62 -1.099386076e+01 -4.467947870e+01 -6.046950624e+01 1.64 -7.403515859e+00 -3.851831787e+01 -5.437627068e+01 1.66 -4.821953216e+00 -3.270051303e+01 -4.846769138e+01 1.68 -3.122786963e+00 -2.728266146e+01 -4.270503374e+01 1.70 -2.080857437e+00 -2.225710940e+01 -3.716973173e+01 1.72 -1.509504285e+00 -1.762175660e+01 -3.185730406e+01 1.74 -1.259606897e+00 -1.335862690e+01 -2.677286600e+01 1.76 -1.231675214e+00 -9.480388547e+00 -2.196231640e+01 1.78 -1.339064155e+00 -6.459600192e+00 -1.745215394e+01 1.80 -1.521258377e+00 -4.361181792e+00 -1.326244089e+01 1.82 -1.741988845e+00 -2.946717249e+00 -9.403677757e+00 1.84 -1.973595978e+00 -2.030896520e+00 -6.358713960e+00 1.86 -2.198557573e+00 -1.482557416e+00 -4.240076236e+00 1.88 -2.408874192e+00 -1.197503341e+00 -2.809373132e+00 1.90 -2.605437523e+00 -1.098352319e+00 -1.872704256e+00 1.92 -2.792494840e+00 -1.127168969e+00 -1.302371665e+00 1.94 -2.972633072e+00 -1.243583958e+00 -9.927510648e-01 1.96 -3.131286801e+00 -1.418819798e+00 -8.701783403e-01 1.98 -3.280222615e+00 -1.631318286e+00 -8.809978040e-01 2.00 -3.414894913e+00 -1.857687135e+00 -9.780726304e-01 2.02 -3.536116923e+00 -2.083215126e+00 -1.129388039e+00 2.04 -3.647195155e+00 -2.311044195e+00 -1.329052308e+00 2.06 -3.747689235e+00 -2.531620334e+00 -1.557241879e+00 2.08 -3.837894861e+00 -2.742732779e+00 -1.802004963e+00 2.10 -3.918653114e+00 -2.944254452e+00 -2.051170212e+00 2.12 -3.991184961e+00 -3.138397838e+00 -2.295560597e+00 2.14 -4.046845665e+00 -3.305739113e+00 -2.525484482e+00 2.16 -4.099934133e+00 -3.471128421e+00 -2.747038697e+00 2.18 -4.146751771e+00 -3.623391795e+00 -2.957984527e+00 2.20 -4.180065104e+00 -3.759557864e+00 -3.157760593e+00 2.22 -4.209639488e+00 -3.877233995e+00 -3.345767513e+00 2.24 -4.221597423e+00 -3.976499774e+00 -3.523847642e+00 2.26 -4.227868137e+00 -4.058392591e+00 -3.692776398e+00 2.28 -4.223363684e+00 -4.124913978e+00 -3.820340863e+00 2.30 -4.208862939e+00 -4.178962056e+00 -3.944999565e+00 2.32 -4.185315257e+00 -4.224086653e+00 -4.051365751e+00 2.34 -4.153746170e+00 -4.245524794e+00 -4.139707401e+00 2.36 -4.115227471e+00 -4.269351043e+00 -4.211076271e+00 2.38 -4.070728909e+00 -4.288950798e+00 -4.267267600e+00 2.40 -4.020969018e+00 -4.287869676e+00 -4.310525277e+00 2.42 -3.966185102e+00 -4.289387785e+00 -4.343043423e+00 2.44 -3.906703033e+00 -4.284733585e+00 -4.366965108e+00 2.46 -3.843016329e+00 -4.274325843e+00 -4.379102572e+00 2.48 -3.775635110e+00 -4.259238285e+00 -4.386247650e+00 2.50 -3.705362572e+00 -4.240726644e+00 -4.386442362e+00 2.52 -3.633055163e+00 -4.219052768e+00 -4.379484110e+00 2.54 -3.559448912e+00 -4.193874125e+00 -4.364992699e+00 2.56 -3.482366251e+00 -4.164860979e+00 -4.343109910e+00 2.58 -3.406000761e+00 -4.131780585e+00 -4.314443650e+00 2.60 -3.329651511e+00 -4.091946101e+00 -4.279954872e+00 2.62 -3.249262899e+00 -4.048777015e+00 -4.240831974e+00 2.64 -3.171313431e+00 -4.001154577e+00 -4.198413011e+00 2.66 -3.093745281e+00 -3.949337809e+00 -4.154188191e+00 2.68 -3.015846040e+00 -3.893514284e+00 -4.109760480e+00 2.70 -2.932169135e+00 -3.833883753e+00 -4.049216329e+00 2.72 -2.848609555e+00 -3.770718817e+00 -3.997047599e+00 2.74 -2.762129958e+00 -3.704313339e+00 -3.944500153e+00 2.76 -2.672221403e+00 -3.634979193e+00 -3.891664002e+00 2.78 -2.578382675e+00 -3.563225920e+00 -3.838072499e+00 2.80 -2.480466497e+00 -3.489877493e+00 -3.783277365e+00 2.82 -2.378664183e+00 -3.415828070e+00 -3.726870000e+00 2.84 -2.273588760e+00 -3.341846243e+00 -3.668513514e+00 2.86 -2.166412750e+00 -3.268390342e+00 -3.608020096e+00 2.88 -2.058872129e+00 -3.195378050e+00 -3.545355241e+00 2.90 -1.952648679e+00 -3.122365603e+00 -3.480605124e+00 2.92 -1.849024381e+00 -3.049143663e+00 -3.413935911e+00 2.94 -1.748825446e+00 -2.974929873e+00 -3.345562432e+00 2.96 -1.652449371e+00 -2.898782079e+00 -3.275748151e+00 2.98 -1.560162436e+00 -2.820117901e+00 -3.204854672e+00 3.00 -1.470354283e+00 -2.736918340e+00 -3.130304548e+00 3.02 -1.384166797e+00 -2.648780733e+00 -3.052214201e+00 3.04 -1.302479696e+00 -2.559096648e+00 -2.973885723e+00 3.06 -1.224531089e+00 -2.466688262e+00 -2.892783009e+00 3.08 -1.150310899e+00 -2.372084617e+00 -2.808698535e+00 3.10 -1.079885762e+00 -2.275902557e+00 -2.721437209e+00 3.12 -1.013344804e+00 -2.178912369e+00 -2.630968236e+00 3.14 -9.507701217e-01 -2.069934024e+00 -2.537331798e+00 3.16 -8.922588604e-01 -1.967462341e+00 -2.440534287e+00 3.18 -8.379667620e-01 -1.865958668e+00 -2.340548306e+00 3.20 -7.880405948e-01 -1.766356473e+00 -2.237405850e+00 3.22 -7.347018044e-01 -1.669342216e+00 -2.131511992e+00 3.24 -6.892068930e-01 -1.575467909e+00 -2.024090072e+00 3.26 -6.469367095e-01 -1.485178407e+00 -1.916402984e+00 3.28 -6.077891729e-01 -1.398828385e+00 -1.809566520e+00 3.30 -5.716562901e-01 -1.316679863e+00 -1.704593678e+00 3.32 -5.384279856e-01 -1.238885287e+00 -1.602409359e+00 3.34 -5.048106290e-01 -1.165462949e+00 -1.503848572e+00 3.36 -4.752042422e-01 -1.096312986e+00 -1.409648360e+00 3.38 -4.475670608e-01 -1.031216177e+00 -1.320422750e+00 3.40 -4.217095486e-01 -9.698825475e-01 -1.236631258e+00 3.42 -3.974465399e-01 -9.121031228e-01 -1.158636566e+00 3.44 -3.746235066e-01 -8.576606916e-01 -1.086731194e+00 3.46 -3.531486267e-01 -8.063402810e-01 -1.021153120e+00 3.48 -3.320439496e-01 -7.579553395e-01 -9.468382416e-01 3.50 -3.126172834e-01 -7.123582677e-01 -8.862262820e-01 3.52 -2.942450310e-01 -6.694405061e-01 -8.299031578e-01 3.54 -2.768635119e-01 -6.291254524e-01 -7.776511688e-01 3.56 -2.604098924e-01 -5.913577964e-01 -7.292421783e-01 3.58 -2.448222204e-01 -5.560924059e-01 -6.844427917e-01 3.60 -2.300395385e-01 -5.232868303e-01 -6.430187806e-01 3.62 -2.160020174e-01 -4.929011385e-01 -6.047390406e-01 3.64 -2.026507707e-01 -4.649055251e-01 -5.693758513e-01 3.66 -1.899280009e-01 -4.393143640e-01 -5.367010328e-01 3.68 -1.777768817e-01 -4.102156514e-01 -5.064972719e-01 3.70 -1.661418726e-01 -3.862265832e-01 -4.785653035e-01 3.72 -1.549682052e-01 -3.637079808e-01 -4.527295259e-01 3.74 -1.442020776e-01 -3.425625847e-01 -4.288356215e-01 3.76 -1.338014746e-01 -3.226977148e-01 -4.067497692e-01 3.78 -1.237709388e-01 -3.040252815e-01 -3.863555642e-01 3.80 -1.141285130e-01 -2.864617275e-01 -3.675482363e-01 3.82 -1.048931599e-01 -2.699277586e-01 -3.502251905e-01 3.84 -9.608479160e-02 -2.543483039e-01 -3.342751168e-01 3.86 -8.772437459e-02 -2.396547290e-01 -3.195720688e-01 3.88 -7.983485083e-02 -2.258020280e-01 -3.060004120e-01 3.90 -7.242951528e-02 -2.127562843e-01 -2.934316549e-01 3.92 -6.548937779e-02 -2.004836269e-01 -2.817220983e-01 3.94 -5.898902987e-02 -1.889495038e-01 -2.707639596e-01 3.96 -5.290374112e-02 -1.781184347e-01 -2.604556965e-01 3.98 -4.720093768e-02 -1.679552028e-01 -2.506977744e-01 4.00 -4.178427962e-02 -1.584248468e-01 -2.413996803e-01 4.02 -3.657310940e-02 -1.494926993e-01 -2.324840842e-01 4.04 -3.151856576e-02 -1.411243738e-01 -2.238878304e-01 4.06 -2.659675930e-02 -1.332858063e-01 -2.155609980e-01 4.08 -2.180046511e-02 -1.259431084e-01 -2.074640939e-01 4.10 -1.713347426e-02 -1.190626940e-01 -1.995653282e-01 4.12 -1.260661778e-02 -1.126109027e-01 -1.918369407e-01 4.14 -8.234346171e-03 -1.065393140e-01 -1.842522968e-01 4.16 -4.032622518e-03 -1.007756152e-01 -1.767848577e-01 4.18 -1.743887070e-05 -9.524547235e-02 -1.694081162e-01 4.20 3.794299585e-03 -8.988217559e-02 -1.621067878e-01 4.22 7.378490022e-03 -8.466004262e-02 -1.549268781e-01 4.24 1.070777495e-02 -7.956757980e-02 -1.479350809e-01 4.26 1.375359877e-02 -7.459084247e-02 -1.375012201e-01 4.28 1.650164350e-02 -6.971706247e-02 -1.294742664e-01 4.30 1.894693791e-02 -6.493507456e-02 -1.214243896e-01 4.32 2.107840300e-02 -6.023454889e-02 -1.133717112e-01 4.34 2.287840950e-02 -5.560695262e-02 -1.053363278e-01 4.36 2.432428171e-02 -5.102615680e-02 -9.733857198e-02 4.38 2.539163973e-02 -4.642760550e-02 -8.939880728e-02 4.40 2.605970903e-02 -4.176172932e-02 -8.153757569e-02 4.42 2.631759400e-02 -3.699705858e-02 -7.377546465e-02 4.44 2.617108563e-02 -3.211819630e-02 -6.613549037e-02 4.46 2.564806356e-02 -2.712426138e-02 -5.859393593e-02 4.48 2.480149713e-02 -2.202739554e-02 -5.109385405e-02 4.50 2.370903474e-02 -1.685171680e-02 -4.360798815e-02 4.52 2.246422846e-02 -1.163266951e-02 -3.613597416e-02 4.54 2.113839311e-02 -6.416545733e-03 -2.869932358e-02 4.56 1.979364726e-02 -1.256699277e-03 -2.133476211e-02 4.58 1.849096621e-02 3.786987686e-03 -1.409000933e-02 4.60 1.728381759e-02 8.648853255e-03 -7.020493507e-03 4.62 1.621335782e-02 1.325976344e-02 -1.860150583e-04 4.64 1.530556267e-02 1.755005650e-02 6.351806429e-03 4.66 1.456990610e-02 2.145401730e-02 1.253156900e-02 4.68 1.399832093e-02 2.491319529e-02 1.829382864e-02 4.70 1.356622706e-02 2.788112927e-02 2.358214176e-02 4.72 1.323590416e-02 3.032735958e-02 2.834413080e-02 4.74 1.295871322e-02 3.224003113e-02 3.253202825e-02 4.76 1.267816853e-02 3.362753069e-02 3.610411439e-02 4.78 1.233619400e-02 3.453356497e-02 3.904953900e-02 4.80 1.187596527e-02 3.502284469e-02 4.138839821e-02 4.82 1.124195706e-02 3.514237188e-02 4.314665892e-02 4.84 1.038323624e-02 3.494049212e-02 4.435478067e-02 4.86 9.257150845e-03 3.446738444e-02 4.504772693e-02 4.88 7.831833395e-03 3.377097201e-02 4.526390539e-02 4.90 8.987595010e-03 3.289471809e-02 4.504523862e-02 4.92 8.137135147e-03 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