# 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 = CoFeNi2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 3.975893912e+02 3.975893912e+02 0.94 3.707128057e+02 3.707128057e+02 0.96 3.455555644e+02 3.455555644e+02 0.98 3.220097062e+02 3.220097062e+02 1.00 2.999740955e+02 2.999740955e+02 1.02 2.793539786e+02 2.793539786e+02 1.04 2.600605694e+02 2.600605694e+02 1.06 2.420106632e+02 2.420106632e+02 1.08 2.251262762e+02 2.251262762e+02 1.10 2.093343086e+02 2.093343086e+02 1.12 1.945662314e+02 1.945662314e+02 1.14 1.807577934e+02 1.807577934e+02 1.16 1.678487482e+02 1.678487482e+02 1.18 1.557825996e+02 1.557825996e+02 1.20 1.445063639e+02 1.445063639e+02 1.22 1.339703478e+02 1.339703478e+02 1.24 1.241279412e+02 1.241279412e+02 1.26 1.149354241e+02 1.149354241e+02 1.28 1.063517853e+02 1.063517853e+02 1.30 9.833855359e+01 9.833855359e+01 1.32 9.085963979e+01 9.085963979e+01 1.34 8.388118874e+01 8.388118874e+01 1.36 7.737144106e+01 7.737144106e+01 1.38 7.130060365e+01 7.130060365e+01 1.40 6.564072838e+01 6.564072838e+01 1.42 6.036559855e+01 6.036559855e+01 1.44 5.545062241e+01 5.545062241e+01 1.46 5.087273336e+01 5.087273336e+01 1.48 4.661029647e+01 4.661029647e+01 1.50 4.264302069e+01 4.264302069e+01 1.52 3.895187654e+01 3.895187654e+01 1.54 3.551901895e+01 3.551901895e+01 1.56 3.232771473e+01 3.232771473e+01 1.58 2.936227457e+01 2.936227457e+01 1.60 2.660798918e+01 2.660798918e+01 1.62 2.405106933e+01 2.405106933e+01 1.64 2.167858955e+01 2.167858955e+01 1.66 1.947843525e+01 1.947843525e+01 1.68 1.743925305e+01 1.743925305e+01 1.70 1.555040415e+01 1.555040415e+01 1.72 1.380192047e+01 1.380192047e+01 1.74 1.218446352e+01 1.218446352e+01 1.76 1.068928572e+01 1.068928572e+01 1.78 9.308194046e+00 9.308194046e+00 1.80 8.033515931e+00 8.033515931e+00 1.82 6.858067158e+00 6.858067158e+00 1.84 5.775121760e+00 5.775121760e+00 1.86 4.778383699e+00 4.778383699e+00 1.88 3.861960280e+00 3.861960280e+00 1.90 3.020337173e+00 3.020337173e+00 1.92 2.248354941e+00 2.248354941e+00 1.94 1.541186992e+00 1.541186992e+00 1.96 8.943188853e-01 8.943188853e-01 1.98 3.035288666e-01 3.035288666e-01 2.00 -2.351303892e-01 -2.351303892e-01 2.02 -7.253489358e-01 -7.253489358e-01 2.04 -1.170575670e+00 -1.170575670e+00 2.06 -1.574033455e+00 -1.574033455e+00 2.08 -1.938733332e+00 -1.938733332e+00 2.10 -2.267487853e+00 -2.267487853e+00 2.12 -2.562923602e+00 -2.562923602e+00 2.14 -2.827492952e+00 -2.827492952e+00 2.16 -3.063485097e+00 -3.063485097e+00 2.18 -3.273036406e+00 -3.273036406e+00 2.20 -3.458140141e+00 -3.458140141e+00 2.22 -3.620655579e+00 -3.620655579e+00 2.24 -3.762316564e+00 -3.762316564e+00 2.26 -3.884739540e+00 -3.884739540e+00 2.28 -3.989431079e+00 -3.989431079e+00 2.30 -4.077794943e+00 -4.077794943e+00 2.32 -4.151138713e+00 -4.151138713e+00 2.34 -4.210680002e+00 -4.210680002e+00 2.36 -4.257552277e+00 -4.257552277e+00 2.38 -4.292810324e+00 -4.292810324e+00 2.40 -4.317435369e+00 -4.317435369e+00 2.42 -4.332339876e+00 -4.332339876e+00 2.44 -4.338372047e+00 -4.338372047e+00 2.46 -4.336320035e+00 -4.336320035e+00 2.48 -4.326915898e+00 -4.326915898e+00 2.50 -4.310839296e+00 -4.310839296e+00 2.52 -4.288720958e+00 -4.288720958e+00 2.54 -4.261145932e+00 -4.261145932e+00 2.56 -4.228656618e+00 -4.228656618e+00 2.58 -4.191755624e+00 -4.191755624e+00 2.60 -4.150908424e+00 -4.150908424e+00 2.62 -4.106545858e+00 -4.106545858e+00 2.64 -4.059066461e+00 -4.059066461e+00 2.66 -4.008838655e+00 -4.008838655e+00 2.68 -3.956202787e+00 -3.956202787e+00 2.70 -3.901472916e+00 -3.901472916e+00 2.72 -3.844884160e+00 -3.844884160e+00 2.74 -3.786403315e+00 -3.786403315e+00 2.76 -3.726634906e+00 -3.726634906e+00 2.78 -3.666232753e+00 -3.666232753e+00 2.80 -3.604973591e+00 -3.604973591e+00 2.82 -3.543048380e+00 -3.543048380e+00 2.84 -3.480632241e+00 -3.480632241e+00 2.86 -3.417885574e+00 -3.417885574e+00 2.88 -3.354955094e+00 -3.354955094e+00 2.90 -3.291974807e+00 -3.291974807e+00 2.92 -3.229066910e+00 -3.229066910e+00 2.94 -3.166342643e+00 -3.166342643e+00 2.96 -3.103903074e+00 -3.103903074e+00 2.98 -3.041839835e+00 -3.041839835e+00 3.00 -2.980235808e+00 -2.980235808e+00 3.02 -2.919165766e+00 -2.919165766e+00 3.04 -2.858696966e+00 -2.858696966e+00 3.06 -2.798889706e+00 -2.798889706e+00 3.08 -2.739797836e+00 -2.739797836e+00 3.10 -2.681469246e+00 -2.681469246e+00 3.12 -2.623946306e+00 -2.623946306e+00 3.14 -2.567266284e+00 -2.567266284e+00 3.16 -2.511461730e+00 -2.511461730e+00 3.18 -2.456560835e+00 -2.456560835e+00 3.20 -2.402587763e+00 -2.402587763e+00 3.22 -2.349562958e+00 -2.349562958e+00 3.24 -2.297503426e+00 -2.297503426e+00 3.26 -2.246423003e+00 -2.246423003e+00 3.28 -2.196332595e+00 -2.196332595e+00 3.30 -2.147240401e+00 -2.147240401e+00 3.32 -2.099152123e+00 -2.099152123e+00 3.34 -2.052071153e+00 -2.052071153e+00 3.36 -2.005998747e+00 -2.005998747e+00 3.38 -1.960934186e+00 -1.960934186e+00 3.40 -1.916874919e+00 -1.916874919e+00 3.42 -1.873816698e+00 -1.873816698e+00 3.44 -1.831753693e+00 -1.831753693e+00 3.46 -1.790678607e+00 -1.790678607e+00 3.48 -1.750582770e+00 -1.750582770e+00 3.50 -1.711456225e+00 -1.711456225e+00 3.52 -1.673287810e+00 -1.673287810e+00 3.54 -1.636065224e+00 -1.636065224e+00 3.56 -1.599775087e+00 -1.599775087e+00 3.58 -1.564403000e+00 -1.564403000e+00 3.60 -1.529933583e+00 -1.529933583e+00 3.62 -1.496350523e+00 -1.496350523e+00 3.64 -1.463636607e+00 -1.463636607e+00 3.66 -1.431773751e+00 -1.431773751e+00 3.68 -1.400743031e+00 -1.400743031e+00 3.70 -1.370524708e+00 -1.370524708e+00 3.72 -1.341098248e+00 -1.341098248e+00 3.74 -1.312442348e+00 -1.312442348e+00 3.76 -1.284534961e+00 -1.284534961e+00 3.78 -1.257353316e+00 -1.257353316e+00 3.80 -1.230873955e+00 -1.230873955e+00 3.82 -1.205084668e+00 -1.205084668e+00 3.84 -1.181077230e+00 -1.181077230e+00 3.86 -1.163987344e+00 -1.163987344e+00 3.88 -1.151449281e+00 -1.151449281e+00 3.90 -1.115230162e+00 -1.115230162e+00 3.92 -1.090359268e+00 -1.090359268e+00 3.94 -1.065726218e+00 -1.065726218e+00 3.96 -1.041341988e+00 -1.041341988e+00 3.98 -1.017218927e+00 -1.017218927e+00 4.00 -9.933700994e-01 -9.933700994e-01 4.02 -9.698086615e-01 -9.698086615e-01 4.04 -9.465473232e-01 -9.465473232e-01 4.06 -9.235978941e-01 -9.235978941e-01 4.08 -9.009709366e-01 -9.009709366e-01 4.10 -8.786755249e-01 -8.786755249e-01 4.12 -8.567191071e-01 -8.567191071e-01 4.14 -8.351074610e-01 -8.351074610e-01 4.16 -8.138447278e-01 -8.138447278e-01 4.18 -7.929335094e-01 -7.929335094e-01 4.20 -7.723750097e-01 -7.723750097e-01 4.22 -7.521692047e-01 -7.521692047e-01 4.24 -7.323150243e-01 -7.323150243e-01 4.26 -7.128105349e-01 -7.128105349e-01 4.28 -6.936531117e-01 -6.936531117e-01 4.30 -6.748395952e-01 -6.748395952e-01 4.32 -6.563664263e-01 -6.563664263e-01 4.34 -6.382297603e-01 -6.382297603e-01 4.36 -6.204255590e-01 -6.204255590e-01 4.38 -6.029496635e-01 -6.029496635e-01 4.40 -5.857978502e-01 -5.857978502e-01 4.42 -5.681010877e-01 -5.681010877e-01 4.44 -5.388824738e-01 -5.388824738e-01 4.46 -4.660414382e-01 -4.660414382e-01 4.48 -2.832087467e-01 -2.832087467e-01 4.50 -3.465403208e-22 -3.464404431e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 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