# 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 = FeMnNi2 # 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 4.982781143e+02 4.982781143e+02 1.00 4.587922905e+02 4.587922905e+02 1.02 4.223898091e+02 4.223898091e+02 1.04 3.888652876e+02 3.888652876e+02 1.06 3.580804746e+02 3.580804746e+02 1.08 3.299008994e+02 3.299008994e+02 1.10 3.040128560e+02 3.040128560e+02 1.12 2.800824338e+02 2.800824338e+02 1.14 2.578017101e+02 2.578017101e+02 1.16 2.369114398e+02 2.369114398e+02 1.18 2.172901856e+02 2.172901856e+02 1.20 1.989172748e+02 1.989172748e+02 1.22 1.818026290e+02 1.818026290e+02 1.24 1.659380456e+02 1.659380456e+02 1.26 1.512882143e+02 1.512882143e+02 1.28 1.378000791e+02 1.378000791e+02 1.30 1.253510304e+02 1.253510304e+02 1.32 1.138245250e+02 1.138245250e+02 1.34 1.031353876e+02 1.031353876e+02 1.36 9.320883894e+01 9.320883894e+01 1.38 8.400959962e+01 8.400959962e+01 1.40 7.553626191e+01 7.553626191e+01 1.42 6.777913445e+01 6.777913445e+01 1.44 6.070566014e+01 6.070566014e+01 1.46 5.427518571e+01 5.427518571e+01 1.48 4.843620626e+01 4.843620626e+01 1.50 4.313557487e+01 4.313557487e+01 1.52 3.831714968e+01 3.831714968e+01 1.54 3.392797368e+01 3.392797368e+01 1.56 2.993929073e+01 2.993929073e+01 1.58 2.634316212e+01 2.634316212e+01 1.60 2.313225513e+01 2.313225513e+01 1.62 2.029730192e+01 2.029730192e+01 1.64 1.782784111e+01 1.782784111e+01 1.66 1.571216258e+01 1.571216258e+01 1.68 1.391752332e+01 1.391752332e+01 1.70 1.239419224e+01 1.239419224e+01 1.72 1.102556058e+01 1.102556058e+01 1.74 9.573352997e+00 9.573352997e+00 1.76 8.244879201e+00 8.244879201e+00 1.78 7.014443825e+00 7.014443825e+00 1.80 5.866290157e+00 5.866290157e+00 1.82 4.795822414e+00 4.795822414e+00 1.84 3.804935813e+00 3.804935813e+00 1.86 2.894125137e+00 2.894125137e+00 1.88 2.065779290e+00 2.065779290e+00 1.90 1.320842396e+00 1.320842396e+00 1.92 6.565952773e-01 6.565952773e-01 1.94 6.625554990e-02 6.625554990e-02 1.96 -4.577055470e-01 -4.577055470e-01 1.98 -9.222526781e-01 -9.222526781e-01 2.00 -1.334459590e+00 -1.334459590e+00 2.02 -1.700900743e+00 -1.700900743e+00 2.04 -2.024931127e+00 -2.024931127e+00 2.06 -2.309174043e+00 -2.309174043e+00 2.08 -2.556296482e+00 -2.556296482e+00 2.10 -2.768715666e+00 -2.768715666e+00 2.12 -2.950201913e+00 -2.950201913e+00 2.14 -3.106138298e+00 -3.106138298e+00 2.16 -3.240344409e+00 -3.240344409e+00 2.18 -3.356586710e+00 -3.356586710e+00 2.20 -3.458790020e+00 -3.458790020e+00 2.22 -3.550131253e+00 -3.550131253e+00 2.24 -3.630918157e+00 -3.630918157e+00 2.26 -3.701624099e+00 -3.701624099e+00 2.28 -3.762806256e+00 -3.762806256e+00 2.30 -3.815239088e+00 -3.815239088e+00 2.32 -3.859741710e+00 -3.859741710e+00 2.34 -3.896709746e+00 -3.896709746e+00 2.36 -3.925964311e+00 -3.925964311e+00 2.38 -3.947558233e+00 -3.947558233e+00 2.40 -3.961770490e+00 -3.961770490e+00 2.42 -3.968522491e+00 -3.968522491e+00 2.44 -3.967913134e+00 -3.967913134e+00 2.46 -3.960188495e+00 -3.960188495e+00 2.48 -3.945919909e+00 -3.945919909e+00 2.50 -3.925847658e+00 -3.925847658e+00 2.52 -3.900459734e+00 -3.900459734e+00 2.54 -3.869436378e+00 -3.869436378e+00 2.56 -3.832269705e+00 -3.832269705e+00 2.58 -3.788446138e+00 -3.788446138e+00 2.60 -3.737442797e+00 -3.737442797e+00 2.62 -3.678987928e+00 -3.678987928e+00 2.64 -3.613057631e+00 -3.613057631e+00 2.66 -3.539706641e+00 -3.539706641e+00 2.68 -3.459220694e+00 -3.459220694e+00 2.70 -3.373372842e+00 -3.373372842e+00 2.72 -3.283104983e+00 -3.283104983e+00 2.74 -3.189683895e+00 -3.189683895e+00 2.76 -3.094441044e+00 -3.094441044e+00 2.78 -2.998715289e+00 -2.998715289e+00 2.80 -2.903851902e+00 -2.903851902e+00 2.82 -2.811201873e+00 -2.811201873e+00 2.84 -2.722121401e+00 -2.722121401e+00 2.86 -2.637971625e+00 -2.637971625e+00 2.88 -2.560104919e+00 -2.560104919e+00 2.90 -2.489547260e+00 -2.489547260e+00 2.92 -2.426990932e+00 -2.426990932e+00 2.94 -2.372955001e+00 -2.372955001e+00 2.96 -2.326293317e+00 -2.326293317e+00 2.98 -2.285523862e+00 -2.285523862e+00 3.00 -2.249294976e+00 -2.249294976e+00 3.02 -2.216240825e+00 -2.216240825e+00 3.04 -2.184956830e+00 -2.184956830e+00 3.06 -2.154021427e+00 -2.154021427e+00 3.08 -2.122002187e+00 -2.122002187e+00 3.10 -2.087453160e+00 -2.087453160e+00 3.12 -2.048911880e+00 -2.048911880e+00 3.14 -2.004922554e+00 -2.004922554e+00 3.16 -1.954496578e+00 -1.954496578e+00 3.18 -1.897059047e+00 -1.897059047e+00 3.20 -1.833490967e+00 -1.833490967e+00 3.22 -1.764920397e+00 -1.764920397e+00 3.24 -1.692471993e+00 -1.692471993e+00 3.26 -1.617267375e+00 -1.617267375e+00 3.28 -1.540426247e+00 -1.540426247e+00 3.30 -1.463065843e+00 -1.463065843e+00 3.32 -1.386300233e+00 -1.386300233e+00 3.34 -1.311240361e+00 -1.311240361e+00 3.36 -1.238993909e+00 -1.238993909e+00 3.38 -1.170665336e+00 -1.170665336e+00 3.40 -1.107314590e+00 -1.107314590e+00 3.42 -1.049305236e+00 -1.049305236e+00 3.44 -9.964224311e-01 -9.964224311e-01 3.46 -9.484061680e-01 -9.484061680e-01 3.48 -9.049051521e-01 -9.049051521e-01 3.50 -8.655519959e-01 -8.655519959e-01 3.52 -8.299708722e-01 -8.299708722e-01 3.54 -7.977459884e-01 -7.977459884e-01 3.56 -7.684499412e-01 -7.684499412e-01 3.58 -7.416531325e-01 -7.416531325e-01 3.60 -7.169239236e-01 -7.169239236e-01 3.62 -6.938285009e-01 -6.938285009e-01 3.64 -6.719898426e-01 -6.719898426e-01 3.66 -6.512674093e-01 -6.512674093e-01 3.68 -6.315810742e-01 -6.315810742e-01 3.70 -6.128495654e-01 -6.128495654e-01 3.72 -5.949900570e-01 -5.949900570e-01 3.74 -5.779204499e-01 -5.779204499e-01 3.76 -5.615726555e-01 -5.615726555e-01 3.78 -5.458843060e-01 -5.458843060e-01 3.80 -5.307924164e-01 -5.307924164e-01 3.82 -5.162323122e-01 -5.162323122e-01 3.84 -5.021374762e-01 -5.021374762e-01 3.86 -4.884770883e-01 -4.884770883e-01 3.88 -4.751341928e-01 -4.751341928e-01 3.90 -4.620232881e-01 -4.620232881e-01 3.92 -4.490416978e-01 -4.490416978e-01 3.94 -4.361264452e-01 -4.361264452e-01 3.96 -4.233432457e-01 -4.233432457e-01 3.98 -4.107517343e-01 -4.107517343e-01 4.00 -3.983306789e-01 -3.983306789e-01 4.02 -3.860325694e-01 -3.860325694e-01 4.04 -3.740057024e-01 -3.740057024e-01 4.06 -3.623439082e-01 -3.623439082e-01 4.08 -3.510874672e-01 -3.510874672e-01 4.10 -3.402481059e-01 -3.402481059e-01 4.12 -3.298262181e-01 -3.298262181e-01 4.14 -3.198218108e-01 -3.198218108e-01 4.16 -3.101326612e-01 -3.101326612e-01 4.18 -3.003442348e-01 -3.003442348e-01 4.20 -2.904070724e-01 -2.904070724e-01 4.22 -2.803178477e-01 -2.803178477e-01 4.24 -2.700972613e-01 -2.700972613e-01 4.26 -2.597710462e-01 -2.597710462e-01 4.28 -2.493648590e-01 -2.493648590e-01 4.30 -2.389050045e-01 -2.389050045e-01 4.32 -2.284157069e-01 -2.284157069e-01 4.34 -2.179240807e-01 -2.179240807e-01 4.36 -2.074528808e-01 -2.074528808e-01 4.38 -1.970282842e-01 -1.970282842e-01 4.40 -1.866770271e-01 -1.866770271e-01 4.42 -1.764119823e-01 -1.764119823e-01 4.44 -1.662859041e-01 -1.662859041e-01 4.46 -1.561333611e-01 -1.561333611e-01 4.48 -1.461186264e-01 -1.461186264e-01 4.50 -1.366865583e-01 -1.366865583e-01 4.52 -1.282635366e-01 -1.282635366e-01 4.54 -1.203832921e-01 -1.203832921e-01 4.56 -1.117611125e-01 -1.117611125e-01 4.58 -1.016615781e-01 -1.016615781e-01 4.60 -8.979230844e-02 -8.979230844e-02 4.62 -7.658887663e-02 -7.658887663e-02 4.64 -6.335711553e-02 -6.335711553e-02 4.66 -5.103796915e-02 -5.103796915e-02 4.68 -4.020052576e-02 -4.020052576e-02 4.70 -3.113982679e-02 -3.113982679e-02 4.72 -2.396253915e-02 -2.396253915e-02 4.74 -1.866127647e-02 -1.866127647e-02 4.76 -1.517779825e-02 -1.517779825e-02 4.78 -1.345464317e-02 -1.345464317e-02 4.80 -1.323386777e-02 -1.323386777e-02 4.82 -1.327563653e-02 -1.327563653e-02 4.84 -1.339177024e-02 -1.339177024e-02 4.86 -1.357129094e-02 -1.357129094e-02 4.88 -1.380322068e-02 -1.380322068e-02 4.90 -1.407658149e-02 -1.407658149e-02 4.92 -1.438039542e-02 -1.438039542e-02 4.94 -1.470368453e-02 -1.470368453e-02 4.96 -1.503547084e-02 -1.503547084e-02 4.98 -1.536477641e-02 -1.536477641e-02 5.00 -1.568062327e-02 -1.568062327e-02 5.02 -1.597402606e-02 -1.597402606e-02 5.04 -1.624396965e-02 -1.624396965e-02 5.06 -1.649143152e-02 -1.649143152e-02 5.08 -1.671738913e-02 -1.671738913e-02 5.10 -1.692281996e-02 -1.692281996e-02 5.12 -1.710870145e-02 -1.710870145e-02 5.14 -1.727601109e-02 -1.727601109e-02 5.16 -1.742572634e-02 -1.742572634e-02 5.18 -1.755882466e-02 -1.755882466e-02 5.20 -1.767628352e-02 -1.767628352e-02 5.22 -1.777908038e-02 -1.777908038e-02 5.24 -1.786819272e-02 -1.786819272e-02 5.26 -1.794459800e-02 -1.794459800e-02 5.28 -1.800927368e-02 -1.800927368e-02 5.30 -1.806319724e-02 -1.806319724e-02 5.32 -1.810734613e-02 -1.810734613e-02 5.34 -1.814269782e-02 -1.814269782e-02 5.36 -1.817022979e-02 -1.817022979e-02 5.38 -1.819091949e-02 -1.819091949e-02 5.40 -1.820574440e-02 -1.820574440e-02 5.42 -1.821568197e-02 -1.821568197e-02 5.44 -1.822170968e-02 -1.822170968e-02 5.46 -1.822480499e-02 -1.822480499e-02 5.48 -1.822594537e-02 -1.822594537e-02 5.50 -1.822610828e-02 -1.822610828e-02 5.52 -1.822610828e-02 -1.822610828e-02 5.54 -1.822610828e-02 -1.822610828e-02 5.56 -1.822610828e-02 -1.822610828e-02 5.58 -1.822610828e-02 -1.822610828e-02 5.60 -1.822610828e-02 -1.822610828e-02 5.62 -1.822610828e-02 -1.822610828e-02 5.64 -1.822610828e-02 -1.822610828e-02 5.66 -1.822610828e-02 -1.822610828e-02 5.68 -1.822610828e-02 -1.822610828e-02 5.70 -1.822610828e-02 -1.822610828e-02 5.72 -1.822610828e-02 -1.822610828e-02 5.74 -1.822610828e-02 -1.822610828e-02 5.76 -1.822610828e-02 -1.822610828e-02 5.78 -1.822610828e-02 -1.822610828e-02 5.80 -1.822610828e-02 -1.822610828e-02 5.82 -1.822610828e-02 -1.822610828e-02 5.84 -1.822610828e-02 -1.822610828e-02 5.86 -1.822610828e-02 -1.822610828e-02 5.88 -1.822610828e-02 -1.822610828e-02 5.90 -1.822610828e-02 -1.822610828e-02 5.92 -1.822610828e-02 -1.822610828e-02 5.94 -1.822610828e-02 -1.822610828e-02 5.96 -1.822610828e-02 -1.822610828e-02 5.98 -1.822610828e-02 -1.822610828e-02 6.00 -1.822610828e-02 -1.822610828e-02