# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = CFeSi2 # 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 3.035840801e+02 3.035840801e+02 1.00 2.822525857e+02 2.822525857e+02 1.02 2.712983657e+02 2.712983657e+02 1.04 2.780966008e+02 2.780966008e+02 1.06 2.941160617e+02 2.941160617e+02 1.08 3.133944696e+02 3.133944696e+02 1.10 3.320534481e+02 3.320534481e+02 1.12 3.477296080e+02 3.477296080e+02 1.14 3.591409585e+02 3.591409585e+02 1.16 3.657588955e+02 3.657588955e+02 1.18 3.675628476e+02 3.675628476e+02 1.20 3.648586943e+02 3.648586943e+02 1.22 3.581463826e+02 3.581463826e+02 1.24 3.480252550e+02 3.480252550e+02 1.26 3.351279188e+02 3.351279188e+02 1.28 3.200756386e+02 3.200756386e+02 1.30 3.034496903e+02 3.034496903e+02 1.32 2.857744248e+02 2.857744248e+02 1.34 2.675087564e+02 2.675087564e+02 1.36 2.490435492e+02 2.490435492e+02 1.38 2.307030426e+02 2.307030426e+02 1.40 2.127488658e+02 2.127488658e+02 1.42 1.953856080e+02 1.953856080e+02 1.44 1.787672012e+02 1.787672012e+02 1.46 1.630035495e+02 1.630035495e+02 1.48 1.481670599e+02 1.481670599e+02 1.50 1.342987861e+02 1.342987861e+02 1.52 1.214139796e+02 1.214139796e+02 1.54 1.095071937e+02 1.095071937e+02 1.56 9.855683450e+01 9.855683450e+01 1.58 8.852909762e+01 8.852909762e+01 1.60 7.938131956e+01 7.938131956e+01 1.62 7.106478197e+01 7.106478197e+01 1.64 6.352702269e+01 6.352702269e+01 1.66 5.671370707e+01 5.671370707e+01 1.68 5.057011351e+01 5.057011351e+01 1.70 4.504228743e+01 4.504228743e+01 1.72 4.007791205e+01 4.007791205e+01 1.74 3.562694254e+01 3.562694254e+01 1.76 3.164204369e+01 3.164204369e+01 1.78 2.807886745e+01 2.807886745e+01 1.80 2.489620278e+01 2.489620278e+01 1.82 2.205602348e+01 2.205602348e+01 1.84 1.952345851e+01 1.952345851e+01 1.86 1.726670394e+01 1.726670394e+01 1.88 1.525689167e+01 1.525689167e+01 1.90 1.346792974e+01 1.346792974e+01 1.92 1.187632354e+01 1.187632354e+01 1.94 1.046097582e+01 1.046097582e+01 1.96 9.202935982e+00 9.202935982e+00 1.98 8.085172579e+00 8.085172579e+00 2.00 7.092388122e+00 7.092388122e+00 2.02 6.210852186e+00 6.210852186e+00 2.04 5.428249682e+00 5.428249682e+00 2.06 4.733543574e+00 4.733543574e+00 2.08 4.116850407e+00 4.116850407e+00 2.10 3.569327279e+00 3.569327279e+00 2.12 3.083069655e+00 3.083069655e+00 2.14 2.651018640e+00 2.651018640e+00 2.16 2.266876939e+00 2.266876939e+00 2.18 1.925032900e+00 1.925032900e+00 2.20 1.620491584e+00 1.620491584e+00 2.22 1.348812425e+00 1.348812425e+00 2.24 1.106052887e+00 1.106052887e+00 2.26 8.887173759e-01 8.887173759e-01 2.28 6.937111344e-01 6.937111344e-01 2.30 5.182985648e-01 5.182985648e-01 2.32 3.600655164e-01 3.600655164e-01 2.34 2.168853056e-01 2.168853056e-01 2.36 8.688801135e-02 8.688801135e-02 2.38 -3.155275869e-02 -3.155275869e-02 2.40 -1.395462905e-01 -1.395462905e-01 2.42 -2.377871352e-01 -2.377871352e-01 2.44 -3.269151556e-01 -3.269151556e-01 2.46 -4.075328970e-01 -4.075328970e-01 2.48 -4.802076452e-01 -4.802076452e-01 2.50 -5.454733641e-01 -5.454733641e-01 2.52 -6.038325307e-01 -6.038325307e-01 2.54 -6.557578745e-01 -6.557578745e-01 2.56 -7.016940221e-01 -7.016940221e-01 2.58 -7.420590551e-01 -7.420590551e-01 2.60 -7.772459855e-01 -7.772459855e-01 2.62 -8.076241505e-01 -8.076241505e-01 2.64 -8.335405346e-01 -8.335405346e-01 2.66 -8.553210200e-01 -8.553210200e-01 2.68 -8.732715694e-01 -8.732715694e-01 2.70 -8.876793461e-01 -8.876793461e-01 2.72 -8.988137739e-01 -8.988137739e-01 2.74 -9.069275385e-01 -9.069275385e-01 2.76 -9.122575368e-01 -9.122575368e-01 2.78 -9.150257733e-01 -9.150257733e-01 2.80 -9.154402086e-01 -9.154402086e-01 2.82 -9.136955618e-01 -9.136955618e-01 2.84 -9.099740691e-01 -9.099740691e-01 2.86 -9.044462011e-01 -9.044462011e-01 2.88 -8.972713413e-01 -8.972713413e-01 2.90 -8.885984267e-01 -8.885984267e-01 2.92 -8.785665541e-01 -8.785665541e-01 2.94 -8.673055524e-01 -8.673055524e-01 2.96 -8.549365239e-01 -8.549365239e-01 2.98 -8.415723551e-01 -8.415723551e-01 3.00 -8.273181998e-01 -8.273181998e-01 3.02 -8.122719351e-01 -8.122719351e-01 3.04 -7.965245916e-01 -7.965245916e-01 3.06 -7.801607604e-01 -7.801607604e-01 3.08 -7.632589766e-01 -7.632589766e-01 3.10 -7.458920811e-01 -7.458920811e-01 3.12 -7.281275626e-01 -7.281275626e-01 3.14 -7.100278796e-01 -7.100278796e-01 3.16 -6.916507643e-01 -6.916507643e-01 3.18 -6.730495091e-01 -6.730495091e-01 3.20 -6.542732362e-01 -6.542732362e-01 3.22 -6.353671521e-01 -6.353671521e-01 3.24 -6.163727870e-01 -6.163727870e-01 3.26 -5.973282197e-01 -5.973282197e-01 3.28 -5.782682902e-01 -5.782682902e-01 3.30 -5.592247983e-01 -5.592247983e-01 3.32 -5.402266909e-01 -5.402266909e-01 3.34 -5.213002378e-01 -5.213002378e-01 3.36 -5.024691962e-01 -5.024691962e-01 3.38 -4.837549652e-01 -4.837549652e-01 3.40 -4.651767300e-01 -4.651767300e-01 3.42 -4.467515963e-01 -4.467515963e-01 3.44 -4.284947167e-01 -4.284947167e-01 3.46 -4.104194068e-01 -4.104194068e-01 3.48 -3.925372537e-01 -3.925372537e-01 3.50 -3.748582165e-01 -3.748582165e-01 3.52 -3.573907175e-01 -3.573907175e-01 3.54 -3.401417271e-01 -3.401417271e-01 3.56 -3.231168398e-01 -3.231168398e-01 3.58 -3.063203426e-01 -3.063203426e-01 3.60 -2.897552765e-01 -2.897552765e-01 3.62 -2.734234885e-01 -2.734234885e-01 3.64 -2.573256769e-01 -2.573256769e-01 3.66 -2.414614273e-01 -2.414614273e-01 3.68 -2.258292394e-01 -2.258292394e-01 3.70 -2.104265449e-01 -2.104265449e-01 3.72 -1.952497135e-01 -1.952497135e-01 3.74 -1.802940481e-01 -1.802940481e-01 3.76 -1.655537659e-01 -1.655537659e-01 3.78 -1.510219639e-01 -1.510219639e-01 3.80 -1.366905666e-01 -1.366905666e-01 3.82 -1.225502511e-01 -1.225502511e-01 3.84 -1.085903467e-01 -1.085903467e-01 3.86 -9.479870158e-02 -9.479870158e-02 3.88 -8.116150906e-02 -8.116150906e-02 3.90 -6.766308265e-02 -6.766308265e-02 3.92 -5.428556505e-02 -5.428556505e-02 3.94 -4.100855110e-02 -4.100855110e-02 3.96 -2.780859625e-02 -2.780859625e-02 3.98 -1.465857052e-02 -1.465857052e-02 4.00 -1.526800103e-03 -1.526800103e-03 4.02 1.162408939e-02 1.162408939e-02 4.04 2.483875776e-02 2.483875776e-02 4.06 3.817136525e-02 3.817136525e-02 4.08 5.168874271e-02 5.168874271e-02 4.10 6.547505762e-02 6.547505762e-02 4.12 7.963891778e-02 7.963891778e-02 4.14 9.432463685e-02 9.432463685e-02 4.16 1.097310243e-01 1.097310243e-01 4.18 1.261447903e-01 1.261447903e-01 4.20 1.440050939e-01 1.440050939e-01 4.22 1.640433519e-01 1.640433519e-01 4.24 1.876413805e-01 1.876413805e-01 4.26 2.180446633e-01 2.180446633e-01 4.28 2.681367129e-01 2.681367129e-01 4.30 3.700690180e-01 3.700690180e-01 4.32 3.776756329e-01 3.776756329e-01 4.34 3.808733522e-01 3.808733522e-01 4.36 3.820421415e-01 3.820421415e-01 4.38 3.819419551e-01 3.819419551e-01 4.40 3.809421294e-01 3.809421294e-01 4.42 3.792596122e-01 3.792596122e-01 4.44 3.770369550e-01 3.770369550e-01 4.46 3.743750822e-01 3.743750822e-01 4.48 3.713493489e-01 3.713493489e-01 4.50 3.680182928e-01 3.680182928e-01 4.52 3.644287934e-01 3.644287934e-01 4.54 3.606193032e-01 3.606193032e-01 4.56 3.566219733e-01 3.566219733e-01 4.58 3.524641062e-01 3.524641062e-01 4.60 3.481691851e-01 3.481691851e-01 4.62 3.437576213e-01 3.437576213e-01 4.64 3.392473127e-01 3.392473127e-01 4.66 3.346540685e-01 3.346540685e-01 4.68 3.299919393e-01 3.299919393e-01 4.70 3.252734770e-01 3.252734770e-01 4.72 3.205099440e-01 3.205099440e-01 4.74 3.157114818e-01 3.157114818e-01 4.76 3.108872512e-01 3.108872512e-01 4.78 3.060455470e-01 3.060455470e-01 4.80 3.011938960e-01 3.011938960e-01 4.82 2.963391387e-01 2.963391387e-01 4.84 2.914875005e-01 2.914875005e-01 4.86 2.866446513e-01 2.866446513e-01 4.88 2.818157593e-01 2.818157593e-01 4.90 2.770055358e-01 2.770055358e-01 4.92 2.712570276e-01 2.712570276e-01 4.94 2.525836377e-01 2.525836377e-01 4.96 1.934408163e-01 1.934408163e-01 4.98 8.047854680e-02 8.047854680e-02 5.00 -7.173334688e-23 -7.173199320e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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