# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = Al2CoNi # 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 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 -3.071068723e+02 -3.071068723e+02 1.04 -2.907983574e+02 -2.907983574e+02 1.06 -2.757209813e+02 -2.757209813e+02 1.08 -2.616807979e+02 -2.616807979e+02 1.10 -2.484051305e+02 -2.484051305e+02 1.12 -2.355713937e+02 -2.355713937e+02 1.14 -2.230441979e+02 -2.230441979e+02 1.16 -2.108460793e+02 -2.108460793e+02 1.18 -1.991507263e+02 -1.991507263e+02 1.20 -1.882444134e+02 -1.882444134e+02 1.22 -1.782839347e+02 -1.782839347e+02 1.24 -1.691709222e+02 -1.691709222e+02 1.26 -1.608174503e+02 -1.608174503e+02 1.28 -1.531471351e+02 -1.531471351e+02 1.30 -1.460658460e+02 -1.460658460e+02 1.32 -1.394414228e+02 -1.394414228e+02 1.34 -1.331149990e+02 -1.331149990e+02 1.36 -1.270077254e+02 -1.270077254e+02 1.38 -1.211029798e+02 -1.211029798e+02 1.40 -1.153571456e+02 -1.153571456e+02 1.42 -1.096931153e+02 -1.096931153e+02 1.44 -1.040452335e+02 -1.040452335e+02 1.46 -9.832388527e+01 -9.832388527e+01 1.48 -9.248057834e+01 -9.248057834e+01 1.50 -8.658678211e+01 -8.658678211e+01 1.52 -8.076095627e+01 -8.076095627e+01 1.54 -7.510254342e+01 -7.510254342e+01 1.56 -6.967018597e+01 -6.967018597e+01 1.58 -6.449116206e+01 -6.449116206e+01 1.60 -5.957297280e+01 -5.957297280e+01 1.62 -5.489564932e+01 -5.489564932e+01 1.64 -5.047002465e+01 -5.047002465e+01 1.66 -4.631520529e+01 -4.631520529e+01 1.68 -4.242970125e+01 -4.242970125e+01 1.70 -3.881620678e+01 -3.881620678e+01 1.72 -3.547785197e+01 -3.547785197e+01 1.74 -3.240107500e+01 -3.240107500e+01 1.76 -2.956995699e+01 -2.956995699e+01 1.78 -2.695261391e+01 -2.695261391e+01 1.80 -2.450694945e+01 -2.450694945e+01 1.82 -2.219408344e+01 -2.219408344e+01 1.84 -1.998785209e+01 -1.998785209e+01 1.86 -1.788914001e+01 -1.788914001e+01 1.88 -1.590587811e+01 -1.590587811e+01 1.90 -1.403547017e+01 -1.403547017e+01 1.92 -1.226572516e+01 -1.226572516e+01 1.94 -1.058570962e+01 -1.058570962e+01 1.96 -8.994259406e+00 -8.994259406e+00 1.98 -7.492175309e+00 -7.492175309e+00 2.00 -6.137509799e+00 -6.137509799e+00 2.02 -5.099134222e+00 -5.099134222e+00 2.04 -4.364280207e+00 -4.364280207e+00 2.06 -3.864778520e+00 -3.864778520e+00 2.08 -3.542722940e+00 -3.542722940e+00 2.10 -3.351277609e+00 -3.351277609e+00 2.12 -3.254299503e+00 -3.254299503e+00 2.14 -3.224856890e+00 -3.224856890e+00 2.16 -3.242569330e+00 -3.242569330e+00 2.18 -3.291439092e+00 -3.291439092e+00 2.20 -3.357308446e+00 -3.357308446e+00 2.22 -3.428760954e+00 -3.428760954e+00 2.24 -3.498795776e+00 -3.498795776e+00 2.26 -3.562237246e+00 -3.562237246e+00 2.28 -3.615794808e+00 -3.615794808e+00 2.30 -3.658085231e+00 -3.658085231e+00 2.32 -3.690641949e+00 -3.690641949e+00 2.34 -3.716698682e+00 -3.716698682e+00 2.36 -3.738841735e+00 -3.738841735e+00 2.38 -3.759346556e+00 -3.759346556e+00 2.40 -3.779805722e+00 -3.779805722e+00 2.42 -3.800891123e+00 -3.800891123e+00 2.44 -3.823343323e+00 -3.823343323e+00 2.46 -3.847476507e+00 -3.847476507e+00 2.48 -3.873568651e+00 -3.873568651e+00 2.50 -3.901462357e+00 -3.901462357e+00 2.52 -3.929563343e+00 -3.929563343e+00 2.54 -3.955690005e+00 -3.955690005e+00 2.56 -3.977765523e+00 -3.977765523e+00 2.58 -3.993983176e+00 -3.993983176e+00 2.60 -4.003241093e+00 -4.003241093e+00 2.62 -4.005378404e+00 -4.005378404e+00 2.64 -4.000455538e+00 -4.000455538e+00 2.66 -3.988705322e+00 -3.988705322e+00 2.68 -3.970386366e+00 -3.970386366e+00 2.70 -3.945721024e+00 -3.945721024e+00 2.72 -3.914971769e+00 -3.914971769e+00 2.74 -3.878682152e+00 -3.878682152e+00 2.76 -3.837581606e+00 -3.837581606e+00 2.78 -3.792610605e+00 -3.792610605e+00 2.80 -3.744823166e+00 -3.744823166e+00 2.82 -3.695146118e+00 -3.695146118e+00 2.84 -3.644143291e+00 -3.644143291e+00 2.86 -3.592012982e+00 -3.592012982e+00 2.88 -3.538557791e+00 -3.538557791e+00 2.90 -3.483407054e+00 -3.483407054e+00 2.92 -3.426413847e+00 -3.426413847e+00 2.94 -3.367486248e+00 -3.367486248e+00 2.96 -3.306657247e+00 -3.306657247e+00 2.98 -3.244197242e+00 -3.244197242e+00 3.00 -3.180596209e+00 -3.180596209e+00 3.02 -3.116502609e+00 -3.116502609e+00 3.04 -3.052622387e+00 -3.052622387e+00 3.06 -2.989456925e+00 -2.989456925e+00 3.08 -2.927230236e+00 -2.927230236e+00 3.10 -2.866004729e+00 -2.866004729e+00 3.12 -2.805826378e+00 -2.805826378e+00 3.14 -2.746745721e+00 -2.746745721e+00 3.16 -2.688815846e+00 -2.688815846e+00 3.18 -2.632088998e+00 -2.632088998e+00 3.20 -2.576668980e+00 -2.576668980e+00 3.22 -2.522587931e+00 -2.522587931e+00 3.24 -2.469791246e+00 -2.469791246e+00 3.26 -2.418168572e+00 -2.418168572e+00 3.28 -2.367439943e+00 -2.367439943e+00 3.30 -2.317307139e+00 -2.317307139e+00 3.32 -2.267483039e+00 -2.267483039e+00 3.34 -2.217681662e+00 -2.217681662e+00 3.36 -2.167617197e+00 -2.167617197e+00 3.38 -2.117016907e+00 -2.117016907e+00 3.40 -2.065662353e+00 -2.065662353e+00 3.42 -2.013445419e+00 -2.013445419e+00 3.44 -1.960322308e+00 -1.960322308e+00 3.46 -1.906298742e+00 -1.906298742e+00 3.48 -1.851420338e+00 -1.851420338e+00 3.50 -1.795761151e+00 -1.795761151e+00 3.52 -1.739419607e+00 -1.739419607e+00 3.54 -1.682544420e+00 -1.682544420e+00 3.56 -1.625301364e+00 -1.625301364e+00 3.58 -1.567848083e+00 -1.567848083e+00 3.60 -1.510305952e+00 -1.510305952e+00 3.62 -1.452786233e+00 -1.452786233e+00 3.64 -1.395431366e+00 -1.395431366e+00 3.66 -1.338442853e+00 -1.338442853e+00 3.68 -1.282029567e+00 -1.282029567e+00 3.70 -1.226394405e+00 -1.226394405e+00 3.72 -1.171678566e+00 -1.171678566e+00 3.74 -1.117953981e+00 -1.117953981e+00 3.76 -1.065270942e+00 -1.065270942e+00 3.78 -1.013662713e+00 -1.013662713e+00 3.80 -9.631472694e-01 -9.631472694e-01 3.82 -9.137289379e-01 -9.137289379e-01 3.84 -8.654001294e-01 -8.654001294e-01 3.86 -8.181472831e-01 -8.181472831e-01 3.88 -7.719859913e-01 -7.719859913e-01 3.90 -7.269470704e-01 -7.269470704e-01 3.92 -6.830586781e-01 -6.830586781e-01 3.94 -6.403480661e-01 -6.403480661e-01 3.96 -5.988428396e-01 -5.988428396e-01 3.98 -5.585672155e-01 -5.585672155e-01 4.00 -5.195414266e-01 -5.195414266e-01 4.02 -4.817816871e-01 -4.817816871e-01 4.04 -4.453004799e-01 -4.453004799e-01 4.06 -4.101058233e-01 -4.101058233e-01 4.08 -3.762106160e-01 -3.762106160e-01 4.10 -3.436398429e-01 -3.436398429e-01 4.12 -3.124149143e-01 -3.124149143e-01 4.14 -2.825453742e-01 -2.825453742e-01 4.16 -2.540255620e-01 -2.540255620e-01 4.18 -2.268431228e-01 -2.268431228e-01 4.20 -2.009863420e-01 -2.009863420e-01 4.22 -1.764721042e-01 -1.764721042e-01 4.24 -1.533224549e-01 -1.533224549e-01 4.26 -1.321046847e-01 -1.321046847e-01 4.28 -1.125921333e-01 -1.125921333e-01 4.30 -9.329151996e-02 -9.329151996e-02 4.32 -7.326231504e-02 -7.326231504e-02 4.34 -5.211238051e-02 -5.211238051e-02 4.36 -2.996252707e-02 -2.996252707e-02 4.38 -7.364033656e-03 -7.364033656e-03 4.40 1.482714698e-02 1.482714698e-02 4.42 3.555849900e-02 3.555849900e-02 4.44 5.369173949e-02 5.369173949e-02 4.46 6.811554467e-02 6.811554467e-02 4.48 7.785250312e-02 7.785250312e-02 4.50 8.215612206e-02 8.215612206e-02 4.52 8.061933633e-02 8.061933633e-02 4.54 7.345950565e-02 7.345950565e-02 4.56 6.142358291e-02 6.142358291e-02 4.58 4.561469777e-02 4.561469777e-02 4.60 2.739474537e-02 2.739474537e-02 4.62 8.262089394e-03 8.262089394e-03 4.64 -1.028455923e-02 -1.028455923e-02 4.66 -2.688538703e-02 -2.688538703e-02 4.68 -4.043844735e-02 -4.043844735e-02 4.70 -5.018809270e-02 -5.018809270e-02 4.72 -5.577165733e-02 -5.577165733e-02 4.74 -5.720862406e-02 -5.720862406e-02 4.76 -5.484554895e-02 -5.484554895e-02 4.78 -4.926563118e-02 -4.926563118e-02 4.80 -4.119402357e-02 -4.119402357e-02 4.82 -3.141810757e-02 -3.141810757e-02 4.84 -2.069567754e-02 -2.069567754e-02 4.86 -9.691380176e-03 -9.691380176e-03 4.88 1.060258698e-03 1.060258698e-03 4.90 1.116726068e-02 1.116726068e-02 4.92 2.037538596e-02 2.037538596e-02 4.94 2.854917442e-02 2.854917442e-02 4.96 3.564770405e-02 3.564770405e-02 4.98 4.167743008e-02 4.167743008e-02 5.00 4.668878942e-02 4.668878942e-02 5.02 5.076305301e-02 5.076305301e-02 5.04 5.399187794e-02 5.399187794e-02 5.06 5.643794743e-02 5.643794743e-02 5.08 5.814924608e-02 5.814924608e-02 5.10 5.917350953e-02 5.917350953e-02 5.12 5.955737426e-02 5.955737426e-02 5.14 5.934513572e-02 5.934513572e-02 5.16 5.857781943e-02 5.857781943e-02 5.18 5.729273098e-02 5.729273098e-02 5.20 5.552342067e-02 5.552342067e-02 5.22 5.330329868e-02 5.330329868e-02 5.24 5.067843154e-02 5.067843154e-02 5.26 4.769997929e-02 4.769997929e-02 5.28 4.442258560e-02 4.442258560e-02 5.30 4.090633304e-02 4.090633304e-02 5.32 3.721765777e-02 3.721765777e-02 5.34 3.342915144e-02 3.342915144e-02 5.36 2.961764388e-02 2.961764388e-02 5.38 2.586105131e-02 2.586105131e-02 5.40 2.223431693e-02 2.223431693e-02 5.42 1.880537022e-02 1.880537022e-02 5.44 1.563119657e-02 1.563119657e-02 5.46 1.275564136e-02 1.275564136e-02 5.48 1.020820161e-02 1.020820161e-02 5.50 8.004822315e-03 8.004822315e-03 5.52 6.149309125e-03 6.149309125e-03 5.54 4.629363477e-03 4.629363477e-03 5.56 3.411197665e-03 3.411197665e-03 5.58 2.455497608e-03 2.455497608e-03 5.60 1.722164233e-03 1.722164233e-03 5.62 1.172542736e-03 1.172542736e-03 5.64 7.709086648e-04 7.709086648e-04 5.66 4.856481565e-04 4.856481565e-04 5.68 2.897246333e-04 2.897246333e-04 5.70 1.605553960e-04 1.605553960e-04 5.72 8.002169451e-05 8.002169451e-05 5.74 3.376971186e-05 3.376971186e-05 5.76 1.054043629e-05 1.054043629e-05 5.78 1.648807362e-06 1.648807362e-06 5.80 -6.896971949e-09 -6.896971949e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00