# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Fe3Mn # 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 3.405572267e+02 nan nan 0.86 3.155366550e+02 nan nan 0.88 2.923011865e+02 nan nan 0.90 2.707255134e+02 nan nan 0.92 2.506924956e+02 3.497929844e+02 nan 0.94 2.320927364e+02 3.259005140e+02 3.973311610e+02 0.96 2.148241708e+02 3.035500639e+02 3.722632948e+02 0.98 1.987916677e+02 2.826472074e+02 3.486745518e+02 1.00 1.839066432e+02 2.631028955e+02 3.264812030e+02 1.02 1.700866849e+02 2.448331614e+02 3.056041151e+02 1.04 1.572551871e+02 2.277588447e+02 2.859685037e+02 1.06 1.453409972e+02 2.118053335e+02 2.675037013e+02 1.08 1.342780738e+02 1.969023224e+02 2.501429353e+02 1.10 1.240051569e+02 1.829835864e+02 2.338231198e+02 1.12 1.144654508e+02 1.699867676e+02 2.184846568e+02 1.14 1.056063213e+02 1.578531742e+02 2.040712482e+02 1.16 9.737900570e+01 1.465275908e+02 1.905297186e+02 1.18 8.973833823e+01 1.359580982e+02 1.778098460e+02 1.20 8.264249002e+01 1.260959022e+02 1.658642025e+02 1.22 7.605272365e+01 1.168951707e+02 1.546480033e+02 1.24 6.993316302e+01 1.083128776e+02 1.441189631e+02 1.26 6.425057754e+01 1.003086539e+02 1.342371606e+02 1.28 5.897418101e+01 9.284464460e+01 1.249649103e+02 1.30 5.407544432e+01 8.588537198e+01 1.162666404e+02 1.32 4.952792174e+01 7.939760374e+01 1.081087782e+02 1.34 4.530708998e+01 7.335022694e+01 1.004596404e+02 1.36 4.139019965e+01 6.771412682e+01 9.328933077e+01 1.38 3.775613808e+01 6.246207075e+01 8.656964142e+01 1.40 3.438530316e+01 5.756859702e+01 8.027396098e+01 1.42 3.125948718e+01 5.300990856e+01 7.437718677e+01 1.44 2.836177017e+01 4.876377140e+01 6.885564193e+01 1.46 2.567642190e+01 4.480941791e+01 6.368699699e+01 1.48 2.318881194e+01 4.112745480e+01 5.885019560e+01 1.50 2.088532721e+01 3.769977570e+01 5.432538430e+01 1.52 1.875329615e+01 3.450947830e+01 5.009384601e+01 1.54 1.678091932e+01 3.154078609e+01 4.613793713e+01 1.56 1.495720550e+01 2.877897437e+01 4.244102801e+01 1.58 1.327191317e+01 2.621030057e+01 3.898744667e+01 1.60 1.171549654e+01 2.382193875e+01 3.576242548e+01 1.62 1.027905607e+01 2.160191807e+01 3.275205084e+01 1.64 8.954292805e+00 1.953906506e+01 2.994321546e+01 1.66 7.733466351e+00 1.762294967e+01 2.732357332e+01 1.68 6.609356095e+00 1.584383477e+01 2.488149704e+01 1.70 5.575225423e+00 1.419262899e+01 2.260603756e+01 1.72 4.624788613e+00 1.266084278e+01 2.048688602e+01 1.74 3.752180253e+00 1.124054735e+01 1.851433775e+01 1.76 2.951926875e+00 9.924336612e+00 1.667925816e+01 1.78 2.218920698e+00 8.705291551e+00 1.497305057e+01 1.80 1.548395230e+00 7.576947251e+00 1.338762576e+01 1.82 9.359026359e-01 6.533262145e+00 1.191537318e+01 1.84 3.772926771e-01 5.568589466e+00 1.054913376e+01 1.86 -1.313068666e-01 4.677650701e+00 9.282174238e+00 1.88 -5.935084431e-01 3.855510923e+00 8.108162835e+00 1.90 -1.012681713e+00 3.097555874e+00 7.021146351e+00 1.92 -1.391969403e+00 2.399470653e+00 6.015528471e+00 1.94 -1.734302086e+00 1.757219913e+00 5.086049295e+00 1.96 -2.042411988e+00 1.167029445e+00 4.227765998e+00 1.98 -2.318845877e+00 6.253690483e-01 3.436034563e+00 2.00 -2.565977112e+00 1.289365942e-01 2.706492531e+00 2.02 -2.786016907e+00 -3.253568073e-01 2.035042714e+00 2.04 -2.981024862e+00 -7.404006218e-01 1.417837810e+00 2.06 -3.152918813e+00 -1.118897756e+00 8.512658910e-01 2.08 -3.303484054e+00 -1.463376551e+00 3.319366874e-01 2.10 -3.434381962e+00 -1.776201962e+00 -1.433313448e-01 2.12 -3.547158069e+00 -2.059585995e+00 -5.775232372e-01 2.14 -3.643249628e+00 -2.315597433e+00 -9.734390316e-01 2.16 -3.723992679e+00 -2.546170935e+00 -1.333704654e+00 2.18 -3.790628683e+00 -2.753115524e+00 -1.660782174e+00 2.20 -3.844310717e+00 -2.938122520e+00 -1.956979482e+00 2.22 -3.886109285e+00 -3.102772964e+00 -2.224459421e+00 2.24 -3.917017749e+00 -3.248544553e+00 -2.465248393e+00 2.26 -3.937957420e+00 -3.376818138e+00 -2.681244483e+00 2.28 -3.949782314e+00 -3.488883797e+00 -2.874225115e+00 2.30 -3.953283613e+00 -3.585946525e+00 -3.045854268e+00 2.32 -3.949193830e+00 -3.669131567e+00 -3.197689288e+00 2.34 -3.938190707e+00 -3.739489405e+00 -3.331187295e+00 2.36 -3.920900866e+00 -3.798000442e+00 -3.447711235e+00 2.38 -3.897903212e+00 -3.845579377e+00 -3.548535575e+00 2.40 -3.869732126e+00 -3.883079322e+00 -3.634851670e+00 2.42 -3.836880441e+00 -3.911295652e+00 -3.707772825e+00 2.44 -3.799802223e+00 -3.930969613e+00 -3.768339051e+00 2.46 -3.758915375e+00 -3.942791715e+00 -3.817521561e+00 2.48 -3.714604063e+00 -3.947404899e+00 -3.856226987e+00 2.50 -3.667220984e+00 -3.945407523e+00 -3.885301364e+00 2.52 -3.617089487e+00 -3.937356146e+00 -3.905533876e+00 2.54 -3.564505549e+00 -3.923768149e+00 -3.917660375e+00 2.56 -3.509739628e+00 -3.905124185e+00 -3.922366707e+00 2.58 -3.453038395e+00 -3.881870484e+00 -3.920291830e+00 2.60 -3.394626349e+00 -3.854421000e+00 -3.912030754e+00 2.62 -3.334707346e+00 -3.823159439e+00 -3.898137302e+00 2.64 -3.273466022e+00 -3.788441142e+00 -3.879126712e+00 2.66 -3.211069149e+00 -3.750594862e+00 -3.855478082e+00 2.68 -3.147666910e+00 -3.709924422e+00 -3.827636664e+00 2.70 -3.083394126e+00 -3.666710267e+00 -3.796016033e+00 2.72 -3.018371423e+00 -3.621210219e+00 -3.761000109e+00 2.74 -2.952706371e+00 -3.573658392e+00 -3.722945071e+00 2.76 -2.886494601e+00 -3.524278038e+00 -3.682181150e+00 2.78 -2.819820910e+00 -3.473275243e+00 -3.639014312e+00 2.80 -2.752760373e+00 -3.420828102e+00 -3.593727844e+00 2.82 -2.685379477e+00 -3.367104318e+00 -3.546583835e+00 2.84 -2.617737296e+00 -3.312256668e+00 -3.497824574e+00 2.86 -2.549886722e+00 -3.256423941e+00 -3.447673861e+00 2.88 -2.481875763e+00 -3.199731823e+00 -3.396338234e+00 2.90 -2.413748936e+00 -3.142293745e+00 -3.344008124e+00 2.92 -2.345548755e+00 -3.084211691e+00 -3.290858933e+00 2.94 -2.277317336e+00 -3.025576990e+00 -3.237052056e+00 2.96 -2.209098110e+00 -2.966471084e+00 -3.182735825e+00 2.98 -2.140937643e+00 -2.906966299e+00 -3.128046408e+00 3.00 -2.072887548e+00 -2.847126616e+00 -3.073108638e+00 3.02 -2.005006445e+00 -2.787008467e+00 -3.018036802e+00 3.04 -1.937361931e+00 -2.726661559e+00 -2.962935376e+00 3.06 -1.870032464e+00 -2.666129751e+00 -2.907899704e+00 3.08 -1.803109081e+00 -2.605451988e+00 -2.853016653e+00 3.10 -1.736696811e+00 -2.544663322e+00 -2.798365208e+00 3.12 -1.670915650e+00 -2.483796015e+00 -2.744014834e+00 3.14 -1.605900923e+00 -2.422880754e+00 -2.689787355e+00 3.16 -1.541802884e+00 -2.361947977e+00 -2.634662591e+00 3.18 -1.478785401e+00 -2.301029318e+00 -2.579002111e+00 3.20 -1.417023607e+00 -2.240159149e+00 -2.526492360e+00 3.22 -1.356700461e+00 -2.179376228e+00 -2.474599749e+00 3.24 -1.298002246e+00 -2.118725389e+00 -2.423310471e+00 3.26 -1.241113123e+00 -2.058259244e+00 -2.372657908e+00 3.28 -1.186208973e+00 -1.998039810e+00 -2.322671506e+00 3.30 -1.133450859e+00 -1.938139971e+00 -2.273377079e+00 3.32 -1.082978541e+00 -1.878644651e+00 -2.224797092e+00 3.34 -1.034904498e+00 -1.819651570e+00 -2.176950929e+00 3.36 -9.893089428e-01 -1.761271428e+00 -2.129855144e+00 3.38 -9.462362508e-01 -1.703627385e+00 -2.083523686e+00 3.40 -9.056931119e-01 -1.646853705e+00 -2.037968120e+00 3.42 -8.676485866e-01 -1.591093496e+00 -1.993197824e+00 3.44 -8.320360662e-01 -1.536495514e+00 -1.949220179e+00 3.46 -7.987569749e-01 -1.483210103e+00 -1.906040736e+00 3.48 -7.676859031e-01 -1.431384419e+00 -1.863663383e+00 3.50 -7.386767527e-01 -1.381157187e+00 -1.822090493e+00 3.52 -7.115694188e-01 -1.332653323e+00 -1.781323060e+00 3.54 -6.861965227e-01 -1.285978797e+00 -1.741360831e+00 3.56 -6.623897558e-01 -1.241216152e+00 -1.702202423e+00 3.58 -6.399854704e-01 -1.198421034e+00 -1.663845434e+00 3.60 -6.188068429e-01 -1.157620039e+00 -1.626286543e+00 3.62 -5.945995824e-01 -1.118810059e+00 -1.589521607e+00 3.64 -5.518109194e-01 -1.081959178e+00 -1.553545743e+00 3.66 -7.958741654e-01 -1.047009024e+00 -1.518353414e+00 3.68 -7.720743985e-01 -1.013878354e+00 -1.483938493e+00 3.70 -7.533376932e-01 -9.824675681e-01 -1.450294339e+00 3.72 -7.348743440e-01 -9.526637775e-01 -1.417413850e+00 3.74 -7.166992934e-01 -9.243460295e-01 -1.385289522e+00 3.76 -6.988270364e-01 -8.973903445e-01 -1.353913497e+00 3.78 -6.812709552e-01 -8.716742480e-01 -1.323277611e+00 3.80 -6.640427951e-01 -8.470805768e-01 -1.293373427e+00 3.82 -6.471522994e-01 -8.234537201e-01 -1.264192275e+00 3.84 -6.306070017e-01 -7.966754561e-01 -1.235725282e+00 3.86 -6.144121660e-01 -7.487306909e-01 -1.207963392e+00 3.88 -5.985708528e-01 -6.625833577e-01 -1.180897393e+00 3.90 -5.830840847e-01 -5.964450338e-01 -1.154517929e+00 3.92 -5.679510793e-01 -5.808773525e-01 -1.128815513e+00 3.94 -5.531665675e-01 -5.657198054e-01 -1.103780531e+00 3.96 -5.362496278e-01 -5.509609248e-01 -1.079403249e+00 3.98 -4.987815988e-01 -5.365898824e-01 -1.055673802e+00 4.00 -4.076918412e-01 -5.225963145e-01 -1.032582191e+00 4.02 -2.742735992e-01 -5.089702137e-01 -1.010118268e+00 4.04 -2.551393426e-01 -4.957018652e-01 -9.882717117e-01 4.06 -2.490262828e-01 -4.827818104e-01 -9.670320053e-01 4.08 -2.430501306e-01 -4.702008271e-01 -9.463884016e-01 4.10 -2.372081460e-01 -4.579499188e-01 -9.263298836e-01 4.12 -2.314976261e-01 -4.460203083e-01 -9.068451176e-01 4.14 -2.259159061e-01 -4.344034341e-01 -8.879223993e-01 4.16 -2.204603597e-01 -4.230909473e-01 -8.695495922e-01 4.18 -2.151284002e-01 -4.120747085e-01 -8.517140591e-01 4.20 -2.099174807e-01 -4.013467852e-01 -8.344025861e-01 4.22 -2.048250945e-01 -3.908994485e-01 -8.176013014e-01 4.24 -1.998487756e-01 -3.807251702e-01 -8.012955879e-01 4.26 -1.949860986e-01 -3.708166191e-01 -7.854699934e-01 4.28 -1.902346790e-01 -3.611666579e-01 -7.701081387e-01 4.30 -1.855921732e-01 -3.517683390e-01 -7.551926292e-01 4.32 -1.810562786e-01 -3.426149014e-01 -7.407049723e-01 4.34 -1.766247330e-01 -3.336997661e-01 -7.266255064e-01 4.36 -1.722953152e-01 -3.250165332e-01 -7.129333486e-01 4.38 -1.680658439e-01 -3.165589771e-01 -6.996063683e-01 4.40 -1.639341782e-01 -3.083210430e-01 -6.866211955e-01 4.42 -1.594692674e-01 -2.994378840e-01 -6.722488601e-01 4.44 -1.493011770e-01 -2.792073962e-01 -6.349628283e-01 4.46 -1.203061988e-01 -2.220509087e-01 -5.206584712e-01 4.48 -6.027636874e-02 -1.072470534e-01 -2.713502682e-01 4.50 -2.570386074e-23 -1.058869818e-22 -9.405529960e-23 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00