# 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 = Cu2FeMn # 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 9.197511623e+02 9.197511623e+02 1.00 8.513692005e+02 8.513692005e+02 1.02 7.888475679e+02 7.888475679e+02 1.04 7.315913059e+02 7.315913059e+02 1.06 6.790588904e+02 6.790588904e+02 1.08 6.308278076e+02 6.308278076e+02 1.10 5.865165552e+02 5.865165552e+02 1.12 5.457591576e+02 5.457591576e+02 1.14 5.081932529e+02 5.081932529e+02 1.16 4.734670860e+02 4.734670860e+02 1.18 4.412547411e+02 4.412547411e+02 1.20 4.112450105e+02 4.112450105e+02 1.22 3.831519381e+02 3.831519381e+02 1.24 3.567460825e+02 3.567460825e+02 1.26 3.318759257e+02 3.318759257e+02 1.28 3.084423250e+02 3.084423250e+02 1.30 2.863376815e+02 2.863376815e+02 1.32 2.654901486e+02 2.654901486e+02 1.34 2.458387196e+02 2.458387196e+02 1.36 2.273347690e+02 2.273347690e+02 1.38 2.099424362e+02 2.099424362e+02 1.40 1.936343790e+02 1.936343790e+02 1.42 1.783830423e+02 1.783830423e+02 1.44 1.641488206e+02 1.641488206e+02 1.46 1.508791940e+02 1.508791940e+02 1.48 1.385221526e+02 1.385221526e+02 1.50 1.270278050e+02 1.270278050e+02 1.52 1.163476440e+02 1.163476440e+02 1.54 1.064310948e+02 1.064310948e+02 1.56 9.722822105e+01 9.722822105e+01 1.58 8.869644761e+01 8.869644761e+01 1.60 8.079455339e+01 8.079455339e+01 1.62 7.348157326e+01 7.348157326e+01 1.64 6.671626303e+01 6.671626303e+01 1.66 6.045678070e+01 6.045678070e+01 1.68 5.466362488e+01 5.466362488e+01 1.70 4.930053853e+01 4.930053853e+01 1.72 4.433127594e+01 4.433127594e+01 1.74 3.971923577e+01 3.971923577e+01 1.76 3.543804214e+01 3.543804214e+01 1.78 3.147482098e+01 3.147482098e+01 1.80 2.781697699e+01 2.781697699e+01 1.82 2.445205156e+01 2.445205156e+01 1.84 2.136742850e+01 2.136742850e+01 1.86 1.854845005e+01 1.854845005e+01 1.88 1.597913692e+01 1.597913692e+01 1.90 1.364326156e+01 1.364326156e+01 1.92 1.152550983e+01 1.152550983e+01 1.94 9.610831136e+00 9.610831136e+00 1.96 7.884439739e+00 7.884439739e+00 1.98 6.331872152e+00 6.331872152e+00 2.00 4.938889277e+00 4.938889277e+00 2.02 3.691855539e+00 3.691855539e+00 2.04 2.580494243e+00 2.580494243e+00 2.06 1.595986982e+00 1.595986982e+00 2.08 7.301058699e-01 7.301058699e-01 2.10 -2.537918387e-02 -2.537918387e-02 2.12 -6.786299850e-01 -6.786299850e-01 2.14 -1.237174226e+00 -1.237174226e+00 2.16 -1.708135595e+00 -1.708135595e+00 2.18 -2.098672171e+00 -2.098672171e+00 2.20 -2.416007178e+00 -2.416007178e+00 2.22 -2.667598864e+00 -2.667598864e+00 2.24 -2.861582907e+00 -2.861582907e+00 2.26 -3.007252402e+00 -3.007252402e+00 2.28 -3.114138792e+00 -3.114138792e+00 2.30 -3.191976278e+00 -3.191976278e+00 2.32 -3.249995312e+00 -3.249995312e+00 2.34 -3.294743279e+00 -3.294743279e+00 2.36 -3.331221061e+00 -3.331221061e+00 2.38 -3.361438019e+00 -3.361438019e+00 2.40 -3.385402252e+00 -3.385402252e+00 2.42 -3.402990949e+00 -3.402990949e+00 2.44 -3.414020082e+00 -3.414020082e+00 2.46 -3.418281727e+00 -3.418281727e+00 2.48 -3.415871789e+00 -3.415871789e+00 2.50 -3.407168549e+00 -3.407168549e+00 2.52 -3.392530221e+00 -3.392530221e+00 2.54 -3.372283082e+00 -3.372283082e+00 2.56 -3.346719683e+00 -3.346719683e+00 2.58 -3.316106349e+00 -3.316106349e+00 2.60 -3.280701916e+00 -3.280701916e+00 2.62 -3.240939955e+00 -3.240939955e+00 2.64 -3.197278579e+00 -3.197278579e+00 2.66 -3.150108727e+00 -3.150108727e+00 2.68 -3.099768297e+00 -3.099768297e+00 2.70 -3.046598699e+00 -3.046598699e+00 2.72 -2.991003953e+00 -2.991003953e+00 2.74 -2.933432405e+00 -2.933432405e+00 2.76 -2.874364800e+00 -2.874364800e+00 2.78 -2.814354547e+00 -2.814354547e+00 2.80 -2.753996780e+00 -2.753996780e+00 2.82 -2.693888850e+00 -2.693888850e+00 2.84 -2.634622893e+00 -2.634622893e+00 2.86 -2.576780226e+00 -2.576780226e+00 2.88 -2.520914247e+00 -2.520914247e+00 2.90 -2.467238235e+00 -2.467238235e+00 2.92 -2.415619682e+00 -2.415619682e+00 2.94 -2.365896592e+00 -2.365896592e+00 2.96 -2.317877622e+00 -2.317877622e+00 2.98 -2.271262318e+00 -2.271262318e+00 3.00 -2.225705020e+00 -2.225705020e+00 3.02 -2.180855012e+00 -2.180855012e+00 3.04 -2.136358644e+00 -2.136358644e+00 3.06 -2.091860470e+00 -2.091860470e+00 3.08 -2.047003466e+00 -2.047003466e+00 3.10 -2.001457730e+00 -2.001457730e+00 3.12 -1.954965237e+00 -1.954965237e+00 3.14 -1.907277653e+00 -1.907277653e+00 3.16 -1.858148608e+00 -1.858148608e+00 3.18 -1.807472579e+00 -1.807472579e+00 3.20 -1.755411348e+00 -1.755411348e+00 3.22 -1.702171683e+00 -1.702171683e+00 3.24 -1.647979454e+00 -1.647979454e+00 3.26 -1.593079676e+00 -1.593079676e+00 3.28 -1.537754757e+00 -1.537754757e+00 3.30 -1.482351898e+00 -1.482351898e+00 3.32 -1.427234340e+00 -1.427234340e+00 3.34 -1.372730767e+00 -1.372730767e+00 3.36 -1.319034284e+00 -1.319034284e+00 3.38 -1.266304256e+00 -1.266304256e+00 3.40 -1.214694434e+00 -1.214694434e+00 3.42 -1.164354278e+00 -1.164354278e+00 3.44 -1.115428979e+00 -1.115428979e+00 3.46 -1.068033840e+00 -1.068033840e+00 3.48 -1.022190318e+00 -1.022190318e+00 3.50 -9.779032211e-01 -9.779032211e-01 3.52 -9.351752886e-01 -9.351752886e-01 3.54 -8.940019315e-01 -8.940019315e-01 3.56 -8.543706374e-01 -8.543706374e-01 3.58 -8.162645381e-01 -8.162645381e-01 3.60 -7.796820741e-01 -7.796820741e-01 3.62 -7.446243317e-01 -7.446243317e-01 3.64 -7.110837667e-01 -7.110837667e-01 3.66 -6.790454448e-01 -6.790454448e-01 3.68 -6.484900333e-01 -6.484900333e-01 3.70 -6.193908878e-01 -6.193908878e-01 3.72 -5.917136801e-01 -5.917136801e-01 3.74 -5.654188368e-01 -5.654188368e-01 3.76 -5.404750952e-01 -5.404750952e-01 3.78 -5.168514311e-01 -5.168514311e-01 3.80 -4.945108045e-01 -4.945108045e-01 3.82 -4.734148895e-01 -4.734148895e-01 3.84 -4.535511574e-01 -4.535511574e-01 3.86 -4.349160406e-01 -4.349160406e-01 3.88 -4.175019591e-01 -4.175019591e-01 3.90 -4.012934891e-01 -4.012934891e-01 3.92 -3.862309347e-01 -3.862309347e-01 3.94 -3.722286411e-01 -3.722286411e-01 3.96 -3.591982357e-01 -3.591982357e-01 3.98 -3.470494826e-01 -3.470494826e-01 4.00 -3.356905193e-01 -3.356905193e-01 4.02 -3.250341809e-01 -3.250341809e-01 4.04 -3.150166896e-01 -3.150166896e-01 4.06 -3.055797219e-01 -3.055797219e-01 4.08 -2.966646152e-01 -2.966646152e-01 4.10 -2.882123784e-01 -2.882123784e-01 4.12 -2.801639916e-01 -2.801639916e-01 4.14 -2.724609323e-01 -2.724609323e-01 4.16 -2.650443402e-01 -2.650443402e-01 4.18 -2.578566076e-01 -2.578566076e-01 4.20 -2.508396853e-01 -2.508396853e-01 4.22 -2.439461304e-01 -2.439461304e-01 4.24 -2.371741428e-01 -2.371741428e-01 4.26 -2.305322847e-01 -2.305322847e-01 4.28 -2.240304461e-01 -2.240304461e-01 4.30 -2.176800431e-01 -2.176800431e-01 4.32 -2.114883689e-01 -2.114883689e-01 4.34 -2.054596576e-01 -2.054596576e-01 4.36 -1.995992348e-01 -1.995992348e-01 4.38 -1.939116482e-01 -1.939116482e-01 4.40 -1.883960306e-01 -1.883960306e-01 4.42 -1.830503206e-01 -1.830503206e-01 4.44 -1.778712544e-01 -1.778712544e-01 4.46 -1.728526228e-01 -1.728526228e-01 4.48 -1.679822413e-01 -1.679822413e-01 4.50 -1.632399904e-01 -1.632399904e-01 4.52 -1.586131988e-01 -1.586131988e-01 4.54 -1.540894133e-01 -1.540894133e-01 4.56 -1.496571573e-01 -1.496571573e-01 4.58 -1.453050380e-01 -1.453050380e-01 4.60 -1.409501777e-01 -1.409501777e-01 4.62 -1.365905046e-01 -1.365905046e-01 4.64 -1.322737639e-01 -1.322737639e-01 4.66 -1.280393518e-01 -1.280393518e-01 4.68 -1.239196254e-01 -1.239196254e-01 4.70 -1.199409397e-01 -1.199409397e-01 4.72 -1.161255233e-01 -1.161255233e-01 4.74 -1.125623993e-01 -1.125623993e-01 4.76 -1.091735977e-01 -1.091735977e-01 4.78 -1.058048576e-01 -1.058048576e-01 4.80 -1.023301350e-01 -1.023301350e-01 4.82 -9.864758171e-02 -9.864758171e-02 4.84 -9.467606184e-02 -9.467606184e-02 4.86 -9.035266467e-02 -9.035266467e-02 4.88 -8.563111755e-02 -8.563111755e-02 4.90 -8.048106220e-02 -8.048106220e-02 4.92 -7.486510335e-02 -7.486510335e-02 4.94 -6.882703814e-02 -6.882703814e-02 4.96 -6.253169110e-02 -6.253169110e-02 4.98 -5.613212906e-02 -5.613212906e-02 5.00 -4.976780043e-02 -4.976780043e-02 5.02 -4.356459876e-02 -4.356459876e-02 5.04 -3.763198265e-02 -3.763198265e-02 5.06 -3.205932137e-02 -3.205932137e-02 5.08 -2.691776406e-02 -2.691776406e-02 5.10 -2.225918894e-02 -2.225918894e-02 5.12 -1.811533369e-02 -1.811533369e-02 5.14 -1.449796314e-02 -1.449796314e-02 5.16 -1.140021270e-02 -1.140021270e-02 5.18 -8.799009670e-03 -8.799009670e-03 5.20 -6.658279524e-03 -6.658279524e-03 5.22 -4.932542096e-03 -4.932542096e-03 5.24 -3.570504329e-03 -3.570504329e-03 5.26 -2.518337380e-03 -2.518337380e-03 5.28 -1.723530215e-03 -1.723530215e-03 5.30 -1.139057718e-03 -1.139057718e-03 5.32 -7.223514391e-04 -7.223514391e-04 5.34 -4.357165612e-04 -4.357165612e-04 5.36 -2.468084699e-04 -2.468084699e-04 5.38 -1.287146477e-04 -1.287146477e-04 5.40 -5.974066288e-05 -5.974066288e-05 5.42 -2.299426541e-05 -2.299426541e-05 5.44 -5.850398668e-06 -5.850398668e-06 5.46 6.353566081e-07 6.353566081e-07 5.48 2.314330260e-06 2.314330260e-06 5.50 2.499182324e-06 2.499182324e-06 5.52 2.500000000e-06 2.500000000e-06 5.54 2.500000000e-06 2.500000000e-06 5.56 2.500000000e-06 2.500000000e-06 5.58 2.500000000e-06 2.500000000e-06 5.60 2.500000000e-06 2.500000000e-06 5.62 2.500000000e-06 2.500000000e-06 5.64 2.500000000e-06 2.500000000e-06 5.66 2.500000000e-06 2.500000000e-06 5.68 2.500000000e-06 2.500000000e-06 5.70 2.500000000e-06 2.500000000e-06 5.72 2.500000000e-06 2.500000000e-06 5.74 2.500000000e-06 2.500000000e-06 5.76 2.500000000e-06 2.500000000e-06 5.78 2.500000000e-06 2.500000000e-06 5.80 2.500000000e-06 2.500000000e-06 5.82 2.500000000e-06 2.500000000e-06 5.84 2.500000000e-06 2.500000000e-06 5.86 2.500000000e-06 2.500000000e-06 5.88 2.500000000e-06 2.500000000e-06 5.90 2.500000000e-06 2.500000000e-06 5.92 2.500000000e-06 2.500000000e-06 5.94 2.500000000e-06 2.500000000e-06 5.96 2.500000000e-06 2.500000000e-06 5.98 2.500000000e-06 2.500000000e-06 6.00 2.500000000e-06 2.500000000e-06