# 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 = C2MnSi # 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 2.274089460e+02 2.274089460e+02 1.00 2.110647540e+02 2.110647540e+02 1.02 1.961682668e+02 1.961682668e+02 1.04 1.825719918e+02 1.825719918e+02 1.06 1.701429497e+02 1.701429497e+02 1.08 1.587616484e+02 1.587616484e+02 1.10 1.483210234e+02 1.483210234e+02 1.12 1.387253815e+02 1.387253815e+02 1.14 1.298893755e+02 1.298893755e+02 1.16 1.217370192e+02 1.217370192e+02 1.18 1.142007616e+02 1.142007616e+02 1.20 1.072206205e+02 1.072206205e+02 1.22 1.007433808e+02 1.007433808e+02 1.24 9.472185919e+01 9.472185919e+01 1.26 8.911423145e+01 8.911423145e+01 1.28 8.388342262e+01 8.388342262e+01 1.30 7.899655623e+01 7.899655623e+01 1.32 7.442445823e+01 7.442445823e+01 1.34 7.014121274e+01 7.014121274e+01 1.36 6.612376571e+01 6.612376571e+01 1.38 6.235157136e+01 6.235157136e+01 1.40 5.885521467e+01 5.885521467e+01 1.42 5.674354740e+01 5.674354740e+01 1.44 5.564652731e+01 5.564652731e+01 1.46 5.478734227e+01 5.478734227e+01 1.48 5.373587813e+01 5.373587813e+01 1.50 5.228956558e+01 5.228956558e+01 1.52 5.039007233e+01 5.039007233e+01 1.54 4.806510777e+01 4.806510777e+01 1.56 4.538871551e+01 4.538871551e+01 1.58 4.245491297e+01 4.245491297e+01 1.60 3.936089466e+01 3.936089466e+01 1.62 3.619697411e+01 3.619697411e+01 1.64 3.304115826e+01 3.304115826e+01 1.66 2.995682684e+01 2.995682684e+01 1.68 2.699239299e+01 2.699239299e+01 1.70 2.418215188e+01 2.418215188e+01 1.72 2.154774446e+01 2.154774446e+01 1.74 1.909981423e+01 1.909981423e+01 1.76 1.683951865e+01 1.683951865e+01 1.78 1.475949410e+01 1.475949410e+01 1.80 1.284348888e+01 1.284348888e+01 1.82 1.106209928e+01 1.106209928e+01 1.84 9.350783763e+00 9.350783763e+00 1.86 6.552256715e+00 6.552256715e+00 1.88 4.760422893e+00 4.760422893e+00 1.90 3.949071144e+00 3.949071144e+00 1.92 3.319475870e+00 3.319475870e+00 1.94 2.798196646e+00 2.798196646e+00 1.96 2.356789291e+00 2.356789291e+00 1.98 1.979161785e+00 1.979161785e+00 2.00 1.654323571e+00 1.654323571e+00 2.02 1.374017282e+00 1.374017282e+00 2.04 1.131744598e+00 1.131744598e+00 2.06 9.222856693e-01 9.222856693e-01 2.08 7.414105653e-01 7.414105653e-01 2.10 5.855876244e-01 5.855876244e-01 2.12 4.517515266e-01 4.517515266e-01 2.14 3.372160491e-01 3.372160491e-01 2.16 2.396178296e-01 2.396178296e-01 2.18 1.568723517e-01 1.568723517e-01 2.20 8.713814738e-02 8.713814738e-02 2.22 2.878699988e-02 2.878699988e-02 2.24 -1.962132647e-02 -1.962132647e-02 2.26 -5.936089621e-02 -5.936089621e-02 2.28 -9.155852828e-02 -9.155852828e-02 2.30 -1.172103764e-01 -1.172103764e-01 2.32 -1.371965548e-01 -1.371965548e-01 2.34 -1.522940322e-01 -1.522940322e-01 2.36 -1.631880778e-01 -1.631880778e-01 2.38 -1.704824300e-01 -1.704824300e-01 2.40 -1.747074912e-01 -1.747074912e-01 2.42 -1.762884468e-01 -1.762884468e-01 2.44 -1.755473984e-01 -1.755473984e-01 2.46 -1.727754587e-01 -1.727754587e-01 2.48 -1.682397341e-01 -1.682397341e-01 2.50 -1.621846725e-01 -1.621846725e-01 2.52 -1.548333764e-01 -1.548333764e-01 2.54 -1.463888850e-01 -1.463888850e-01 2.56 -1.370354138e-01 -1.370354138e-01 2.58 -1.269395561e-01 -1.269395561e-01 2.60 -1.162514425e-01 -1.162514425e-01 2.62 -1.051061373e-01 -1.051061373e-01 2.64 -9.363227385e-02 -9.363227385e-02 2.66 -8.195201685e-02 -8.195201685e-02 2.68 -7.017236592e-02 -7.017236592e-02 2.70 -5.838600934e-02 -5.838600934e-02 2.72 -4.667262191e-02 -4.667262191e-02 2.74 -3.510007124e-02 -3.510007124e-02 2.76 -2.372553841e-02 -2.372553841e-02 2.78 -1.259655620e-02 -1.259655620e-02 2.80 -1.751972158e-03 -1.751972158e-03 2.82 8.777159962e-03 8.777159962e-03 2.84 1.896675549e-02 1.896675549e-02 2.86 2.879893631e-02 2.879893631e-02 2.88 3.826132708e-02 3.826132708e-02 2.90 4.734640573e-02 4.734640573e-02 2.92 5.605090537e-02 5.605090537e-02 2.94 6.437526406e-02 6.437526406e-02 2.96 7.232311895e-02 7.232311895e-02 2.98 7.990084315e-02 7.990084315e-02 3.00 8.711712127e-02 8.711712127e-02 3.02 9.398256201e-02 9.398256201e-02 3.04 1.005093460e-01 1.005093460e-01 3.06 1.067109052e-01 1.067109052e-01 3.08 1.126016335e-01 1.126016335e-01 3.10 1.181966266e-01 1.181966266e-01 3.12 1.235114474e-01 1.235114474e-01 3.14 1.285619186e-01 1.285619186e-01 3.16 1.333639382e-01 1.333639382e-01 3.18 1.379333176e-01 1.379333176e-01 3.20 1.422856413e-01 1.422856413e-01 3.22 1.464361457e-01 1.464361457e-01 3.24 1.503996164e-01 1.503996164e-01 3.26 1.541903035e-01 1.541903035e-01 3.28 1.578218512e-01 1.578218512e-01 3.30 1.613072435e-01 1.613072435e-01 3.32 1.646587630e-01 1.646587630e-01 3.34 1.678879608e-01 1.678879608e-01 3.36 1.710056390e-01 1.710056390e-01 3.38 1.740218423e-01 1.740218423e-01 3.40 1.769458579e-01 1.769458579e-01 3.42 1.797862243e-01 1.797862243e-01 3.44 1.825507456e-01 1.825507456e-01 3.46 1.852465117e-01 1.852465117e-01 3.48 1.878799238e-01 1.878799238e-01 3.50 1.904567228e-01 1.904567228e-01 3.52 1.929820211e-01 1.929820211e-01 3.54 1.954603372e-01 1.954603372e-01 3.56 1.978956303e-01 1.978956303e-01 3.58 2.002913373e-01 2.002913373e-01 3.60 2.026504098e-01 2.026504098e-01 3.62 2.049753505e-01 2.049753505e-01 3.64 2.072682497e-01 2.072682497e-01 3.66 2.095308204e-01 2.095308204e-01 3.68 2.117644328e-01 2.117644328e-01 3.70 2.139701474e-01 2.139701474e-01 3.72 2.161487460e-01 2.161487460e-01 3.74 2.183007618e-01 2.183007618e-01 3.76 2.204265071e-01 2.204265071e-01 3.78 2.225260999e-01 2.225260999e-01 3.80 2.245994881e-01 2.245994881e-01 3.82 2.266464722e-01 2.266464722e-01 3.84 2.286667260e-01 2.286667260e-01 3.86 2.306598163e-01 2.306598163e-01 3.88 2.326252199e-01 2.326252199e-01 3.90 2.345623394e-01 2.345623394e-01 3.92 2.364705185e-01 2.364705185e-01 3.94 2.383490540e-01 2.383490540e-01 3.96 2.401972082e-01 2.401972082e-01 3.98 2.420142192e-01 2.420142192e-01 4.00 2.437993100e-01 2.437993100e-01 4.02 2.455516970e-01 2.455516970e-01 4.04 2.472705974e-01 2.472705974e-01 4.06 2.489552355e-01 2.489552355e-01 4.08 2.506048481e-01 2.506048481e-01 4.10 2.522186896e-01 2.522186896e-01 4.12 2.537960364e-01 2.537960364e-01 4.14 2.553361899e-01 2.553361899e-01 4.16 2.568384802e-01 2.568384802e-01 4.18 2.583022682e-01 2.583022682e-01 4.20 2.597269479e-01 2.597269479e-01 4.22 2.611119481e-01 2.611119481e-01 4.24 2.624567336e-01 2.624567336e-01 4.26 2.637608068e-01 2.637608068e-01 4.28 2.650237075e-01 2.650237075e-01 4.30 2.662450146e-01 2.662450146e-01 4.32 2.674243454e-01 2.674243454e-01 4.34 2.685613563e-01 2.685613563e-01 4.36 2.696557424e-01 2.696557424e-01 4.38 2.707072377e-01 2.707072377e-01 4.40 2.717156143e-01 2.717156143e-01 4.42 2.726806821e-01 2.726806821e-01 4.44 2.736022886e-01 2.736022886e-01 4.46 2.744803176e-01 2.744803176e-01 4.48 2.753146892e-01 2.753146892e-01 4.50 2.761053583e-01 2.761053583e-01 4.52 2.768523143e-01 2.768523143e-01 4.54 2.775555800e-01 2.775555800e-01 4.56 2.782152109e-01 2.782152109e-01 4.58 2.788312939e-01 2.788312939e-01 4.60 2.794039466e-01 2.794039466e-01 4.62 2.799333160e-01 2.799333160e-01 4.64 2.804195780e-01 2.804195780e-01 4.66 2.808629360e-01 2.808629360e-01 4.68 2.812636198e-01 2.812636198e-01 4.70 2.816218851e-01 2.816218851e-01 4.72 2.819380116e-01 2.819380116e-01 4.74 2.822123031e-01 2.822123031e-01 4.76 2.824450853e-01 2.824450853e-01 4.78 2.826367057e-01 2.826367057e-01 4.80 2.827875321e-01 2.827875321e-01 4.82 2.828979519e-01 2.828979519e-01 4.84 2.829683708e-01 2.829683708e-01 4.86 2.829992122e-01 2.829992122e-01 4.88 2.829909159e-01 2.829909159e-01 4.90 2.829439374e-01 2.829439374e-01 4.92 2.817211282e-01 2.817211282e-01 4.94 2.649646894e-01 2.649646894e-01 4.96 1.996977813e-01 1.996977813e-01 4.98 7.412680522e-02 7.412680522e-02 5.00 -4.956845386e-23 -4.954530172e-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