# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Mendelev-M-I--Ni-Co-Cr # implementation = 2024--Mendelev-M-I--Ni-Co-Cr--LAMMPS--ipr1 # composition = Co3Ni # 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 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 1.021504108e+04 nan nan 0.96 9.323254600e+03 nan nan 0.98 8.503848010e+03 nan nan 1.00 7.749902572e+03 nan nan 1.02 7.055016329e+03 nan nan 1.04 6.413583943e+03 9.616595110e+03 nan 1.06 5.820837207e+03 8.840852257e+03 1.001444819e+04 1.08 5.272495351e+03 8.122103718e+03 9.231423339e+03 1.10 4.764697056e+03 7.455492225e+03 8.504531390e+03 1.12 4.293932547e+03 6.836632430e+03 7.829079919e+03 1.14 3.857041232e+03 6.261553109e+03 7.200835707e+03 1.16 3.451164929e+03 5.726646035e+03 6.616000035e+03 1.18 3.073692917e+03 5.228616657e+03 6.071131723e+03 1.20 2.722251953e+03 4.764460076e+03 5.563086945e+03 1.22 2.394696404e+03 4.331474793e+03 5.088997030e+03 1.24 2.089071943e+03 3.927211994e+03 4.646228199e+03 1.26 1.803598999e+03 3.549427917e+03 4.232350671e+03 1.28 1.536669517e+03 3.196057090e+03 3.845149471e+03 1.30 1.286823071e+03 2.865211787e+03 3.482605760e+03 1.32 1.052726905e+03 2.555174110e+03 3.142850252e+03 1.34 8.331602813e+02 2.264374760e+03 2.824156432e+03 1.36 6.319889134e+02 1.991378055e+03 2.524926067e+03 1.38 4.746976244e+02 1.734869302e+03 2.243706095e+03 1.40 3.570263572e+02 1.493633683e+03 1.979185568e+03 1.42 2.688608479e+02 1.266544979e+03 1.730172336e+03 1.44 2.027052434e+02 1.052570830e+03 1.495574470e+03 1.46 1.529904076e+02 8.507788027e+02 1.274382629e+03 1.48 1.155785503e+02 6.626908059e+02 1.065664489e+03 1.50 8.738858269e+01 5.093488233e+02 8.685630773e+02 1.52 6.611382358e+01 3.918888788e+02 6.835038403e+02 1.54 5.003273690e+01 3.018148144e+02 5.291116142e+02 1.56 3.785770157e+01 2.326680065e+02 4.098545768e+02 1.58 2.862348777e+01 1.795205166e+02 3.177285004e+02 1.60 2.160545521e+01 1.386118924e+02 2.464714295e+02 1.62 1.625371523e+01 1.070776765e+02 1.912847428e+02 1.64 1.212303536e+01 8.273016334e+01 1.484919019e+02 1.66 8.908753783e+00 6.390098734e+01 1.152753479e+02 1.68 6.390022230e+00 4.931615956e+01 8.947059571e+01 1.70 4.402600402e+00 3.800080180e+01 6.941230119e+01 1.72 2.823571171e+00 2.920769719e+01 5.381631751e+01 1.74 1.560395793e+00 2.236506975e+01 4.169082911e+01 1.76 5.424280866e-01 1.703495710e+01 3.226844170e+01 1.78 -2.858198358e-01 1.288094685e+01 2.495366107e+01 1.80 -9.687166752e-01 9.644316420e+00 1.928245268e+01 1.82 -1.539691644e+00 7.111898855e+00 1.487059586e+01 1.84 -2.023104792e+00 5.112619785e+00 1.140690885e+01 1.86 -2.436373545e+00 3.522786699e+00 8.666063594e+00 1.88 -2.791410287e+00 2.245438893e+00 6.478235093e+00 1.90 -3.096693111e+00 1.205680639e+00 4.715561503e+00 1.92 -3.358679321e+00 3.466622460e-01 3.281615947e+00 1.94 -3.582677487e+00 -3.745345555e-01 2.103338105e+00 1.96 -3.773254025e+00 -9.884096627e-01 1.124971610e+00 1.98 -3.934374068e+00 -1.516352325e+00 3.037414706e-01 2.00 -4.069556137e+00 -1.973638678e+00 -3.928129663e-01 2.02 -4.181912910e+00 -2.371350883e+00 -9.890492997e-01 2.04 -4.274256686e+00 -2.717750622e+00 -1.503443707e+00 2.06 -4.349311600e+00 -3.019435308e+00 -1.950136738e+00 2.08 -4.409834670e+00 -3.282018680e+00 -2.339985131e+00 2.10 -4.458670284e+00 -3.510511951e+00 -2.681405384e+00 2.12 -4.498826317e+00 -3.709361091e+00 -2.981120371e+00 2.14 -4.532330027e+00 -3.882377468e+00 -3.244873034e+00 2.16 -4.560040562e+00 -4.032762588e+00 -3.478127625e+00 2.18 -4.582206502e+00 -4.163150790e+00 -3.685797338e+00 2.20 -4.598555458e+00 -4.275644451e+00 -3.870982331e+00 2.22 -4.608059330e+00 -4.371875207e+00 -4.035430755e+00 2.24 -4.606801525e+00 -4.453100666e+00 -4.180260679e+00 2.26 -4.591889782e+00 -4.520331324e+00 -4.306404186e+00 2.28 -4.567462190e+00 -4.574471254e+00 -4.414729933e+00 2.30 -4.538990684e+00 -4.616445253e+00 -4.506001528e+00 2.32 -4.508855233e+00 -4.647274450e+00 -4.581081151e+00 2.34 -4.477192516e+00 -4.668057493e+00 -4.641033692e+00 2.36 -4.442972539e+00 -4.679941768e+00 -4.687130088e+00 2.38 -4.405385832e+00 -4.684129169e+00 -4.720827453e+00 2.40 -4.364311643e+00 -4.681683841e+00 -4.743741496e+00 2.42 -4.320144910e+00 -4.673005935e+00 -4.757605977e+00 2.44 -4.273539333e+00 -4.655737243e+00 -4.764057149e+00 2.46 -4.225121237e+00 -4.627353709e+00 -4.764307126e+00 2.48 -4.175326117e+00 -4.590614900e+00 -4.759040284e+00 2.50 -4.124355904e+00 -4.550766861e+00 -4.747200135e+00 2.52 -4.072157045e+00 -4.511623904e+00 -4.725682522e+00 2.54 -4.018535307e+00 -4.475170097e+00 -4.694210982e+00 2.56 -3.963413828e+00 -4.441289757e+00 -4.656649112e+00 2.58 -3.906942424e+00 -4.408717807e+00 -4.616598475e+00 2.60 -3.849459673e+00 -4.376153535e+00 -4.575644248e+00 2.62 -3.791328113e+00 -4.342540704e+00 -4.533852092e+00 2.64 -3.732926527e+00 -4.307130068e+00 -4.490377941e+00 2.66 -3.674699918e+00 -4.269503442e+00 -4.444385635e+00 2.68 -3.617218868e+00 -4.229520410e+00 -4.395572128e+00 2.70 -3.561000462e+00 -4.187254318e+00 -4.344107502e+00 2.72 -3.506285401e+00 -4.142968986e+00 -4.290550035e+00 2.74 -3.453106227e+00 -4.097077344e+00 -4.235832286e+00 2.76 -3.401361463e+00 -4.050074134e+00 -4.181176102e+00 2.78 -3.350863944e+00 -4.002445048e+00 -4.128028166e+00 2.80 -3.301369780e+00 -3.954553798e+00 -4.077807648e+00 2.82 -3.252595140e+00 -3.906528205e+00 -4.031115890e+00 2.84 -3.204261791e+00 -3.858349209e+00 -3.987788250e+00 2.86 -3.156146575e+00 -3.810009843e+00 -3.947325667e+00 2.88 -3.108086169e+00 -3.761519197e+00 -3.909053878e+00 2.90 -3.059973270e+00 -3.712898105e+00 -3.872226936e+00 2.92 -3.011749825e+00 -3.664184810e+00 -3.836105618e+00 2.94 -2.963398465e+00 -3.615450032e+00 -3.800013888e+00 2.96 -2.914933054e+00 -3.566811534e+00 -3.763376355e+00 2.98 -2.866389070e+00 -3.518374475e+00 -3.725739369e+00 3.00 -2.817814293e+00 -3.470173238e+00 -3.686778118e+00 3.02 -2.769260270e+00 -3.422181075e+00 -3.646292301e+00 3.04 -2.720777110e+00 -3.374336243e+00 -3.604197238e+00 3.06 -2.672411280e+00 -3.326576311e+00 -3.560511695e+00 3.08 -2.624203904e+00 -3.278858714e+00 -3.515339311e+00 3.10 -2.576190376e+00 -3.231170773e+00 -3.468847670e+00 3.12 -2.528401010e+00 -3.183526509e+00 -3.421246844e+00 3.14 -2.480862073e+00 -3.135946001e+00 -3.372768741e+00 3.16 -2.433596369e+00 -3.088425697e+00 -3.323648329e+00 3.18 -2.386622355e+00 -3.040951545e+00 -3.274107639e+00 3.20 -2.339950560e+00 -2.993515908e+00 -3.224343204e+00 3.22 -2.293576205e+00 -2.946118476e+00 -3.174517396e+00 3.24 -2.247479058e+00 -2.898766080e+00 -3.124753903e+00 3.26 -2.201642717e+00 -2.851472130e+00 -3.075137369e+00 3.28 -2.156062295e+00 -2.804255773e+00 -3.025717027e+00 3.30 -2.110745144e+00 -2.757140879e+00 -2.976513917e+00 3.32 -2.065708261e+00 -2.710154930e+00 -2.927531083e+00 3.34 -2.020971413e+00 -2.663327879e+00 -2.878765930e+00 3.36 -1.976549760e+00 -2.616691049e+00 -2.830223699e+00 3.38 -1.932455679e+00 -2.570276125e+00 -2.781930817e+00 3.40 -1.888700497e+00 -2.524114263e+00 -2.733946636e+00 3.42 -1.845295254e+00 -2.478235363e+00 -2.686365912e+00 3.44 -1.802252152e+00 -2.432667518e+00 -2.639291668e+00 3.46 -1.759586867e+00 -2.387436637e+00 -2.592812910e+00 3.48 -1.717321692e+00 -2.342566255e+00 -2.546987015e+00 3.50 -1.675485178e+00 -2.298077505e+00 -2.501834107e+00 3.52 -1.634107111e+00 -2.253989223e+00 -2.457356992e+00 3.54 -1.593217058e+00 -2.210318172e+00 -2.413547852e+00 3.56 -1.552843775e+00 -2.167079305e+00 -2.370390706e+00 3.58 -1.513014625e+00 -2.124286042e+00 -2.327863542e+00 3.60 -1.473755006e+00 -2.081950473e+00 -2.285940126e+00 3.62 -1.435087819e+00 -2.040083410e+00 -2.244591538e+00 3.64 -1.397032987e+00 -1.998694214e+00 -2.203787444e+00 3.66 -1.359607046e+00 -1.957790268e+00 -2.163497154e+00 3.68 -1.322822835e+00 -1.917376018e+00 -2.123690467e+00 3.70 -1.286689299e+00 -1.877451933e+00 -2.084338346e+00 3.72 -1.251211441e+00 -1.838015469e+00 -2.045413432e+00 3.74 -1.216390434e+00 -1.799061968e+00 -2.006890435e+00 3.76 -1.182223941e+00 -1.760584715e+00 -1.968746393e+00 3.78 -1.148706641e+00 -1.722574980e+00 -1.930960849e+00 3.80 -1.115831027e+00 -1.685022097e+00 -1.893515942e+00 3.82 -1.083588483e+00 -1.647913585e+00 -1.856396428e+00 3.84 -1.051970674e+00 -1.611235328e+00 -1.819589661e+00 3.86 -1.020971299e+00 -1.574971817e+00 -1.783085520e+00 3.88 -9.905882259e-01 -1.539106467e+00 -1.746876317e+00 3.90 -9.608260546e-01 -1.503622026e+00 -1.710956680e+00 3.92 -9.316991471e-01 -1.468501086e+00 -1.675323424e+00 3.94 -9.032331227e-01 -1.433726710e+00 -1.639975416e+00 3.96 -8.754490220e-01 -1.399283187e+00 -1.604913438e+00 3.98 -8.483493543e-01 -1.365156936e+00 -1.570140050e+00 4.00 -8.219206069e-01 -1.331337574e+00 -1.535659456e+00 4.02 -7.961368766e-01 -1.297819163e+00 -1.501477376e+00 4.04 -7.709632048e-01 -1.264601650e+00 -1.467600915e+00 4.06 -7.463586733e-01 -1.231692530e+00 -1.434038435e+00 4.08 -7.222792808e-01 -1.199108745e+00 -1.400799419e+00 4.10 -6.986806750e-01 -1.166878830e+00 -1.367894327e+00 4.12 -6.755207933e-01 -1.135045354e+00 -1.335334431e+00 4.14 -6.527624009e-01 -1.103667638e+00 -1.303131625e+00 4.16 -6.303756325e-01 -1.072824816e+00 -1.271298198e+00 4.18 -6.083405519e-01 -1.042614221e+00 -1.239846559e+00 4.20 -5.866497732e-01 -1.013119946e+00 -1.208788898e+00 4.22 -5.653111705e-01 -9.843935386e-01 -1.178136778e+00 4.24 -5.443507332e-01 -9.564589676e-01 -1.147900626e+00 4.26 -5.238156084e-01 -9.293182686e-01 -1.118089144e+00 4.28 -5.037773594e-01 -9.029564348e-01 -1.088709049e+00 4.30 -4.843354176e-01 -8.773456227e-01 -1.059765156e+00 4.32 -4.656090619e-01 -8.524487337e-01 -1.031260206e+00 4.34 -4.476903292e-01 -8.282224268e-01 -1.003194658e+00 4.36 -4.306275849e-01 -8.046196222e-01 -9.755665249e-01 4.38 -4.144339351e-01 -7.815915475e-01 -9.483712545e-01 4.40 -3.990938426e-01 -7.590893885e-01 -9.216016597e-01 4.42 -3.845700575e-01 -7.370655785e-01 -8.952479174e-01 4.44 -3.708113560e-01 -7.154747964e-01 -8.692976343e-01 4.46 -3.577524800e-01 -6.942746992e-01 -8.437359936e-01 4.48 -3.453264223e-01 -6.734264709e-01 -8.185459894e-01 4.50 -3.334561619e-01 -6.528951613e-01 -7.937087573e-01 4.52 -3.220749890e-01 -6.326499463e-01 -7.692040218e-01 4.54 -3.111020849e-01 -6.126642933e-01 -7.450106568e-01 4.56 -3.004804358e-01 -5.929160698e-01 -7.211073656e-01 4.58 -2.901347100e-01 -5.733876492e-01 -6.974735286e-01 4.60 -2.799323469e-01 -5.540660479e-01 -6.740901777e-01 4.62 -2.699741274e-01 -5.349431188e-01 -6.509411294e-01 4.64 -2.603233551e-01 -5.160158275e-01 -6.280143346e-01 4.66 -2.510571532e-01 -4.972866361e-01 -6.053033816e-01 4.68 -2.420164396e-01 -4.787640365e-01 -5.828091958e-01 4.70 -2.328607405e-01 -4.604633755e-01 -5.605419721e-01 4.72 -2.232351391e-01 -4.424077765e-01 -5.385233349e-01 4.74 -2.131923941e-01 -4.246287804e-01 -5.167887335e-01 4.76 -2.029294922e-01 -4.071683136e-01 -4.953901105e-01 4.78 -1.926416633e-01 -3.900805818e-01 -4.743988214e-01 4.80 -1.826479052e-01 -3.734318627e-01 -4.539088038e-01 4.82 -1.733205622e-01 -3.573047081e-01 -4.340368571e-01 4.84 -1.645269124e-01 -3.417710295e-01 -4.148919425e-01 4.86 -1.559807265e-01 -3.268814681e-01 -3.965466552e-01 4.88 -1.475000273e-01 -3.126558099e-01 -3.790396220e-01 4.90 -1.389812339e-01 -2.991039763e-01 -3.623825215e-01 4.92 -1.303781702e-01 -2.862072789e-01 -3.465663566e-01 4.94 -1.216862660e-01 -2.739450828e-01 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