# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Fe2MnNi # 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 2024-01-04 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 6.536185735e+02 6.536185735e+02 1.00 6.054558365e+02 6.054558365e+02 1.02 5.613665178e+02 5.613665178e+02 1.04 5.207225839e+02 5.207225839e+02 1.06 4.829992875e+02 4.829992875e+02 1.08 4.478874290e+02 4.478874290e+02 1.10 4.151309503e+02 4.151309503e+02 1.12 3.844634737e+02 3.844634737e+02 1.14 3.556621213e+02 3.556621213e+02 1.16 3.285488274e+02 3.285488274e+02 1.18 3.030561596e+02 3.030561596e+02 1.20 2.791946427e+02 2.791946427e+02 1.22 2.569829307e+02 2.569829307e+02 1.24 2.363968233e+02 2.363968233e+02 1.26 2.172886368e+02 2.172886368e+02 1.28 1.995103688e+02 1.995103688e+02 1.30 1.829100835e+02 1.829100835e+02 1.32 1.673362709e+02 1.673362709e+02 1.34 1.526929587e+02 1.526929587e+02 1.36 1.389564800e+02 1.389564800e+02 1.38 1.261070447e+02 1.261070447e+02 1.40 1.141244617e+02 1.141244617e+02 1.42 1.029941356e+02 1.029941356e+02 1.44 9.266623464e+01 9.266623464e+01 1.46 8.308707830e+01 8.308707830e+01 1.48 7.422845499e+01 7.422845499e+01 1.50 6.606468267e+01 6.606468267e+01 1.52 5.857344092e+01 5.857344092e+01 1.54 5.173426818e+01 5.173426818e+01 1.56 4.552633078e+01 4.552633078e+01 1.58 3.992565812e+01 3.992565812e+01 1.60 3.489865535e+01 3.489865535e+01 1.62 3.040188711e+01 3.040188711e+01 1.64 2.639006305e+01 2.639006305e+01 1.66 2.281834701e+01 2.281834701e+01 1.68 1.964385781e+01 1.964385781e+01 1.70 1.682430326e+01 1.682430326e+01 1.72 1.432273538e+01 1.432273538e+01 1.74 1.210572467e+01 1.210572467e+01 1.76 1.013917364e+01 1.013917364e+01 1.78 8.261452801e+00 8.261452801e+00 1.80 6.574361669e+00 6.574361669e+00 1.82 5.093519139e+00 5.093519139e+00 1.84 3.807585694e+00 3.807585694e+00 1.86 2.701158745e+00 2.701158745e+00 1.88 1.761306238e+00 1.761306238e+00 1.90 9.751440332e-01 9.751440332e-01 1.92 3.295880200e-01 3.295880200e-01 1.94 -1.951865035e-01 -1.951865035e-01 1.96 -6.216465695e-01 -6.216465695e-01 1.98 -9.725802357e-01 -9.725802357e-01 2.00 -1.270799724e+00 -1.270799724e+00 2.02 -1.536232741e+00 -1.536232741e+00 2.04 -1.776318137e+00 -1.776318137e+00 2.06 -1.994428708e+00 -1.994428708e+00 2.08 -2.193774813e+00 -2.193774813e+00 2.10 -2.376647126e+00 -2.376647126e+00 2.12 -2.544592208e+00 -2.544592208e+00 2.14 -2.699612236e+00 -2.699612236e+00 2.16 -2.843659612e+00 -2.843659612e+00 2.18 -2.977906245e+00 -2.977906245e+00 2.20 -3.103923768e+00 -3.103923768e+00 2.22 -3.222716166e+00 -3.222716166e+00 2.24 -3.332440810e+00 -3.332440810e+00 2.26 -3.431667693e+00 -3.431667693e+00 2.28 -3.519321259e+00 -3.519321259e+00 2.30 -3.594560379e+00 -3.594560379e+00 2.32 -3.656789161e+00 -3.656789161e+00 2.34 -3.705480102e+00 -3.705480102e+00 2.36 -3.740615292e+00 -3.740615292e+00 2.38 -3.763223343e+00 -3.763223343e+00 2.40 -3.774825616e+00 -3.774825616e+00 2.42 -3.776980777e+00 -3.776980777e+00 2.44 -3.771232665e+00 -3.771232665e+00 2.46 -3.759092064e+00 -3.759092064e+00 2.48 -3.742391023e+00 -3.742391023e+00 2.50 -3.723288866e+00 -3.723288866e+00 2.52 -3.703759012e+00 -3.703759012e+00 2.54 -3.684960393e+00 -3.684960393e+00 2.56 -3.667056651e+00 -3.667056651e+00 2.58 -3.648892729e+00 -3.648892729e+00 2.60 -3.629122526e+00 -3.629122526e+00 2.62 -3.606362449e+00 -3.606362449e+00 2.64 -3.579460157e+00 -3.579460157e+00 2.66 -3.547845065e+00 -3.547845065e+00 2.68 -3.511344230e+00 -3.511344230e+00 2.70 -3.468869488e+00 -3.468869488e+00 2.72 -3.419287429e+00 -3.419287429e+00 2.74 -3.361480776e+00 -3.361480776e+00 2.76 -3.295173674e+00 -3.295173674e+00 2.78 -3.221544343e+00 -3.221544343e+00 2.80 -3.141918901e+00 -3.141918901e+00 2.82 -3.057626222e+00 -3.057626222e+00 2.84 -2.969997792e+00 -2.969997792e+00 2.86 -2.880367394e+00 -2.880367394e+00 2.88 -2.790005021e+00 -2.790005021e+00 2.90 -2.699988643e+00 -2.699988643e+00 2.92 -2.611371553e+00 -2.611371553e+00 2.94 -2.525183216e+00 -2.525183216e+00 2.96 -2.441686180e+00 -2.441686180e+00 2.98 -2.360384805e+00 -2.360384805e+00 3.00 -2.280781676e+00 -2.280781676e+00 3.02 -2.202630429e+00 -2.202630429e+00 3.04 -2.125797478e+00 -2.125797478e+00 3.06 -2.050136008e+00 -2.050136008e+00 3.08 -1.975490295e+00 -1.975490295e+00 3.10 -1.901794099e+00 -1.901794099e+00 3.12 -1.829150085e+00 -1.829150085e+00 3.14 -1.757448702e+00 -1.757448702e+00 3.16 -1.686696931e+00 -1.686696931e+00 3.18 -1.617151761e+00 -1.617151761e+00 3.20 -1.549097328e+00 -1.549097328e+00 3.22 -1.482825081e+00 -1.482825081e+00 3.24 -1.418696070e+00 -1.418696070e+00 3.26 -1.357103033e+00 -1.357103033e+00 3.28 -1.298439388e+00 -1.298439388e+00 3.30 -1.243097794e+00 -1.243097794e+00 3.32 -1.191466141e+00 -1.191466141e+00 3.34 -1.143726760e+00 -1.143726760e+00 3.36 -1.099701566e+00 -1.099701566e+00 3.38 -1.059173121e+00 -1.059173121e+00 3.40 -1.021920849e+00 -1.021920849e+00 3.42 -9.877207570e-01 -9.877207570e-01 3.44 -9.563450800e-01 -9.563450800e-01 3.46 -9.275619919e-01 -9.275619919e-01 3.48 -9.011367881e-01 -9.011367881e-01 3.50 -8.768418343e-01 -8.768418343e-01 3.52 -8.544413256e-01 -8.544413256e-01 3.54 -8.336575109e-01 -8.336575109e-01 3.56 -8.141986780e-01 -8.141986780e-01 3.58 -7.957683106e-01 -7.957683106e-01 3.60 -7.780643355e-01 -7.780643355e-01 3.62 -7.607789603e-01 -7.607789603e-01 3.64 -7.435981906e-01 -7.435981906e-01 3.66 -7.262425491e-01 -7.262425491e-01 3.68 -7.086718176e-01 -7.086718176e-01 3.70 -6.909349862e-01 -6.909349862e-01 3.72 -6.730793273e-01 -6.730793273e-01 3.74 -6.551501210e-01 -6.551501210e-01 3.76 -6.371906599e-01 -6.371906599e-01 3.78 -6.192422935e-01 -6.192422935e-01 3.80 -6.013423932e-01 -6.013423932e-01 3.82 -5.835344971e-01 -5.835344971e-01 3.84 -5.658583557e-01 -5.658583557e-01 3.86 -5.483159663e-01 -5.483159663e-01 3.88 -5.309320327e-01 -5.309320327e-01 3.90 -5.137111385e-01 -5.137111385e-01 3.92 -4.967065609e-01 -4.967065609e-01 3.94 -4.799387934e-01 -4.799387934e-01 3.96 -4.638604029e-01 -4.638604029e-01 3.98 -4.484903927e-01 -4.484903927e-01 4.00 -4.327650778e-01 -4.327650778e-01 4.02 -4.162609235e-01 -4.162609235e-01 4.04 -3.995715894e-01 -3.995715894e-01 4.06 -3.835921963e-01 -3.835921963e-01 4.08 -3.686721040e-01 -3.686721040e-01 4.10 -3.548465063e-01 -3.548465063e-01 4.12 -3.420119612e-01 -3.420119612e-01 4.14 -3.300247328e-01 -3.300247328e-01 4.16 -3.186780932e-01 -3.186780932e-01 4.18 -3.075402389e-01 -3.075402389e-01 4.20 -2.964769126e-01 -2.964769126e-01 4.22 -2.854130029e-01 -2.854130029e-01 4.24 -2.743283323e-01 -2.743283323e-01 4.26 -2.632183244e-01 -2.632183244e-01 4.28 -2.521039925e-01 -2.521039925e-01 4.30 -2.409953649e-01 -2.409953649e-01 4.32 -2.296789721e-01 -2.296789721e-01 4.34 -2.183246391e-01 -2.183246391e-01 4.36 -2.072110849e-01 -2.072110849e-01 4.38 -1.965545377e-01 -1.965545377e-01 4.40 -1.866366036e-01 -1.866366036e-01 4.42 -1.773456612e-01 -1.773456612e-01 4.44 -1.679070235e-01 -1.679070235e-01 4.46 -1.577766188e-01 -1.577766188e-01 4.48 -1.466300223e-01 -1.466300223e-01 4.50 -1.343247534e-01 -1.343247534e-01 4.52 -1.208116030e-01 -1.208116030e-01 4.54 -1.064378120e-01 -1.064378120e-01 4.56 -9.193526508e-02 -9.193526508e-02 4.58 -7.786206031e-02 -7.786206031e-02 4.60 -6.461937224e-02 -6.461937224e-02 4.62 -5.248152187e-02 -5.248152187e-02 4.64 -4.162213299e-02 -4.162213299e-02 4.66 -3.213686377e-02 -3.213686377e-02 4.68 -2.406381487e-02 -2.406381487e-02 4.70 -1.740161779e-02 -1.740161779e-02 4.72 -1.212543497e-02 -1.212543497e-02 4.74 -8.201030166e-03 -8.201030166e-03 4.76 -5.596970613e-03 -5.596970613e-03 4.78 -4.294892766e-03 -4.294892766e-03 4.80 -4.120813634e-03 -4.120813634e-03 4.82 -4.162582397e-03 -4.162582397e-03 4.84 -4.278716106e-03 -4.278716106e-03 4.86 -4.458236805e-03 -4.458236805e-03 4.88 -4.690166538e-03 -4.690166538e-03 4.90 -4.963527350e-03 -4.963527350e-03 4.92 -5.267341285e-03 -5.267341285e-03 4.94 -5.590630387e-03 -5.590630387e-03 4.96 -5.922416700e-03 -5.922416700e-03 4.98 -6.251722269e-03 -6.251722269e-03 5.00 -6.567569127e-03 -6.567569127e-03 5.02 -6.860971921e-03 -6.860971921e-03 5.04 -7.130915514e-03 -7.130915514e-03 5.06 -7.378377384e-03 -7.378377384e-03 5.08 -7.604334997e-03 -7.604334997e-03 5.10 -7.809765818e-03 -7.809765818e-03 5.12 -7.995647315e-03 -7.995647315e-03 5.14 -8.162956953e-03 -8.162956953e-03 5.16 -8.312672199e-03 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