# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CrFe2Ni # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 -5.317938741e+02 -5.317938741e+02 1.06 -5.010192239e+02 -5.010192239e+02 1.08 -4.726542094e+02 -4.726542094e+02 1.10 -4.462625658e+02 -4.462625658e+02 1.12 -4.217632589e+02 -4.217632589e+02 1.14 -3.990694148e+02 -3.990694148e+02 1.16 -3.777358773e+02 -3.777358773e+02 1.18 -3.574336437e+02 -3.574336437e+02 1.20 -3.376218415e+02 -3.376218415e+02 1.22 -3.182486963e+02 -3.182486963e+02 1.24 -2.998859784e+02 -2.998859784e+02 1.26 -2.831237778e+02 -2.831237778e+02 1.28 -2.676083173e+02 -2.676083173e+02 1.30 -2.534023917e+02 -2.534023917e+02 1.32 -2.402549905e+02 -2.402549905e+02 1.34 -2.280473444e+02 -2.280473444e+02 1.36 -2.163470612e+02 -2.163470612e+02 1.38 -2.049271085e+02 -2.049271085e+02 1.40 -1.934583844e+02 -1.934583844e+02 1.42 -1.821709851e+02 -1.821709851e+02 1.44 -1.711714413e+02 -1.711714413e+02 1.46 -1.602983747e+02 -1.602983747e+02 1.48 -1.496528723e+02 -1.496528723e+02 1.50 -1.391016880e+02 -1.391016880e+02 1.52 -1.286178625e+02 -1.286178625e+02 1.54 -1.182784241e+02 -1.182784241e+02 1.56 -1.082542597e+02 -1.082542597e+02 1.58 -9.873233622e+01 -9.873233622e+01 1.60 -8.994959662e+01 -8.994959662e+01 1.62 -8.196862988e+01 -8.196862988e+01 1.64 -7.465214480e+01 -7.465214480e+01 1.66 -6.778141825e+01 -6.778141825e+01 1.68 -6.139598341e+01 -6.139598341e+01 1.70 -5.539081136e+01 -5.539081136e+01 1.72 -4.970444189e+01 -4.970444189e+01 1.74 -4.420021306e+01 -4.420021306e+01 1.76 -3.886720138e+01 -3.886720138e+01 1.78 -3.376122620e+01 -3.376122620e+01 1.80 -2.889870703e+01 -2.889870703e+01 1.82 -2.432078310e+01 -2.432078310e+01 1.84 -2.001165510e+01 -2.001165510e+01 1.86 -1.597937247e+01 -1.597937247e+01 1.88 -1.249499164e+01 -1.249499164e+01 1.90 -9.623843442e+00 -9.623843442e+00 1.92 -7.331971989e+00 -7.331971989e+00 1.94 -5.653646968e+00 -5.653646968e+00 1.96 -4.469693999e+00 -4.469693999e+00 1.98 -3.652673044e+00 -3.652673044e+00 2.00 -3.095773217e+00 -3.095773216e+00 2.02 -2.735171494e+00 -2.735171494e+00 2.04 -2.540877858e+00 -2.540877858e+00 2.06 -2.475028076e+00 -2.475028076e+00 2.08 -2.508848825e+00 -2.508848825e+00 2.10 -2.614406178e+00 -2.614406178e+00 2.12 -2.765195528e+00 -2.765195528e+00 2.14 -2.937183840e+00 -2.937183840e+00 2.16 -3.118316066e+00 -3.118316066e+00 2.18 -3.295433928e+00 -3.295433928e+00 2.20 -3.460275054e+00 -3.460275054e+00 2.22 -3.608864167e+00 -3.608864167e+00 2.24 -3.741479526e+00 -3.741479526e+00 2.26 -3.858335594e+00 -3.858335594e+00 2.28 -3.959540772e+00 -3.959540772e+00 2.30 -4.045509638e+00 -4.045509638e+00 2.32 -4.116662456e+00 -4.116662456e+00 2.34 -4.176682772e+00 -4.176682772e+00 2.36 -4.220982917e+00 -4.220982917e+00 2.38 -4.251986058e+00 -4.251986058e+00 2.40 -4.272435888e+00 -4.272435888e+00 2.42 -4.282259294e+00 -4.282259294e+00 2.44 -4.283468712e+00 -4.283468712e+00 2.46 -4.277203827e+00 -4.277203827e+00 2.48 -4.264475710e+00 -4.264475710e+00 2.50 -4.246079175e+00 -4.246079175e+00 2.52 -4.222254181e+00 -4.222254181e+00 2.54 -4.192928120e+00 -4.192928120e+00 2.56 -4.158221362e+00 -4.158221362e+00 2.58 -4.118538904e+00 -4.118538904e+00 2.60 -4.074498251e+00 -4.074498251e+00 2.62 -4.026542475e+00 -4.026542475e+00 2.64 -3.975332114e+00 -3.975332114e+00 2.66 -3.921492182e+00 -3.921492182e+00 2.68 -3.865481487e+00 -3.865481487e+00 2.70 -3.807634449e+00 -3.807634449e+00 2.72 -3.748203925e+00 -3.748203925e+00 2.74 -3.687316189e+00 -3.687316189e+00 2.76 -3.624985653e+00 -3.624985653e+00 2.78 -3.561313882e+00 -3.561313882e+00 2.80 -3.496560565e+00 -3.496560565e+00 2.82 -3.431202947e+00 -3.431202947e+00 2.84 -3.365947397e+00 -3.365947397e+00 2.86 -3.301723614e+00 -3.301723614e+00 2.88 -3.239471466e+00 -3.239471466e+00 2.90 -3.180060684e+00 -3.180060684e+00 2.92 -3.124310377e+00 -3.124310377e+00 2.94 -3.072825294e+00 -3.072825294e+00 2.96 -3.026079765e+00 -3.026079765e+00 2.98 -2.984444713e+00 -2.984444713e+00 3.00 -2.947268214e+00 -2.947268214e+00 3.02 -2.907882364e+00 -2.907882364e+00 3.04 -2.856890285e+00 -2.856890285e+00 3.06 -2.786764016e+00 -2.786764016e+00 3.08 -2.689585736e+00 -2.689585736e+00 3.10 -2.557620728e+00 -2.557620728e+00 3.12 -2.383596958e+00 -2.383596958e+00 3.14 -2.157997657e+00 -2.157997657e+00 3.16 -1.878421931e+00 -1.878421931e+00 3.18 -1.538874769e+00 -1.538874769e+00 3.20 -1.144722734e+00 -1.144722734e+00 3.22 -7.180651053e-01 -7.180651053e-01 3.24 -2.821609936e-01 -2.821609936e-01 3.26 1.413517216e-01 1.413517216e-01 3.28 5.338397640e-01 5.338397640e-01 3.30 8.813153211e-01 8.813153211e-01 3.32 1.175766667e+00 1.175766667e+00 3.34 1.415531087e+00 1.415531087e+00 3.36 1.604385119e+00 1.604385119e+00 3.38 1.749557592e+00 1.749557592e+00 3.40 1.859467885e+00 1.859467885e+00 3.42 1.941971104e+00 1.941971104e+00 3.44 2.003432723e+00 2.003432723e+00 3.46 2.048560190e+00 2.048560190e+00 3.48 2.080694422e+00 2.080694422e+00 3.50 2.102260748e+00 2.102260748e+00 3.52 2.115184808e+00 2.115184808e+00 3.54 2.121184798e+00 2.121184798e+00 3.56 2.121915813e+00 2.121915813e+00 3.58 2.118980111e+00 2.118980111e+00 3.60 2.113877319e+00 2.113877319e+00 3.62 2.107979035e+00 2.107979035e+00 3.64 2.102515605e+00 2.102515605e+00 3.66 2.098563544e+00 2.098563544e+00 3.68 2.082803286e+00 2.082803286e+00 3.70 2.075678809e+00 2.075678809e+00 3.72 2.069241667e+00 2.069241667e+00 3.74 2.063507158e+00 2.063507158e+00 3.76 2.058388453e+00 2.058388453e+00 3.78 2.053712096e+00 2.053712096e+00 3.80 2.049231373e+00 2.049231373e+00 3.82 2.044637564e+00 2.044637564e+00 3.84 2.039569758e+00 2.039569758e+00 3.86 2.033645874e+00 2.033645874e+00 3.88 2.026663938e+00 2.026663938e+00 3.90 2.018523051e+00 2.018523051e+00 3.92 2.009231927e+00 2.009231927e+00 3.94 1.998791895e+00 1.998791895e+00 3.96 1.987165961e+00 1.987165961e+00 3.98 1.974253995e+00 1.974253995e+00 4.00 1.959925257e+00 1.959925257e+00 4.02 1.944048654e+00 1.944048654e+00 4.04 1.926510349e+00 1.926510349e+00 4.06 1.907223148e+00 1.907223148e+00 4.08 1.886127085e+00 1.886127085e+00 4.10 1.863186489e+00 1.863186489e+00 4.12 1.838381066e+00 1.838381066e+00 4.14 1.811689088e+00 1.811689088e+00 4.16 1.783071618e+00 1.783071618e+00 4.18 1.752469112e+00 1.752469112e+00 4.20 1.719788337e+00 1.719788337e+00 4.22 1.684883292e+00 1.684883292e+00 4.24 1.647551920e+00 1.647551920e+00 4.26 1.607532080e+00 1.607532080e+00 4.28 1.564501332e+00 1.564501332e+00 4.30 1.518151416e+00 1.518151416e+00 4.32 1.468191839e+00 1.468191839e+00 4.34 1.414308798e+00 1.414308798e+00 4.36 1.356169381e+00 1.356169381e+00 4.38 1.293425501e+00 1.293425501e+00 4.40 1.225721714e+00 1.225721714e+00 4.42 1.152707337e+00 1.152707337e+00 4.44 1.074054407e+00 1.074054407e+00 4.46 9.894842789e-01 9.894842789e-01 4.48 8.987990585e-01 8.987990585e-01 4.50 8.019279925e-01 8.019279925e-01 4.52 6.989955093e-01 6.989955093e-01 4.54 5.905073219e-01 5.905073219e-01 4.56 4.773084315e-01 4.773084315e-01 4.58 3.606074409e-01 3.606074409e-01 4.60 2.420232406e-01 2.420232406e-01 4.62 1.235800922e-01 1.235800922e-01 4.64 7.605551532e-03 7.605551532e-03 4.66 -1.003026570e-01 -1.003026570e-01 4.68 -1.867735547e-01 -1.867735547e-01 4.70 -2.443493697e-01 -2.443493697e-01 4.72 -2.733217677e-01 -2.733217677e-01 4.74 -2.795403005e-01 -2.795403005e-01 4.76 -2.714595986e-01 -2.714595986e-01 4.78 -2.573972834e-01 -2.573972834e-01 4.80 -2.437071079e-01 -2.437071079e-01 4.82 -2.340947548e-01 -2.340947548e-01 4.84 -2.298685768e-01 -2.298685768e-01 4.86 -2.306747104e-01 -2.306747104e-01 4.88 -2.353107757e-01 -2.353107757e-01 4.90 -2.423588660e-01 -2.423588660e-01 4.92 -2.505616652e-01 -2.505616652e-01 4.94 -2.589749201e-01 -2.589749201e-01 4.96 -2.669715093e-01 -2.669715093e-01 4.98 -2.741727208e-01 -2.741727208e-01 5.00 -2.803566520e-01 -2.803566520e-01 5.02 -2.853724907e-01 -2.853724907e-01 5.04 -2.890786193e-01 -2.890786193e-01 5.06 -2.913030304e-01 -2.913030304e-01 5.08 -2.918348572e-01 -2.918348572e-01 5.10 -2.904258673e-01 -2.904258673e-01 5.12 -2.867954901e-01 -2.867954901e-01 5.14 -2.806387725e-01 -2.806387725e-01 5.16 -2.716377251e-01 -2.716377251e-01 5.18 -2.594765960e-01 -2.594765960e-01 5.20 -2.540822888e-01 -2.540822888e-01 5.22 -2.410772332e-01 -2.410772332e-01 5.24 -2.264788485e-01 -2.264788485e-01 5.26 -2.105024359e-01 -2.105024359e-01 5.28 -1.934080614e-01 -1.934080614e-01 5.30 -1.754990353e-01 -1.754990353e-01 5.32 -1.571176360e-01 -1.571176360e-01 5.34 -1.386331053e-01 -1.386331053e-01 5.36 -1.204256031e-01 -1.204256031e-01 5.38 -1.028683101e-01 -1.028683101e-01 5.40 -8.630457251e-02 -8.630457251e-02 5.42 -7.102662044e-02 -7.102662044e-02 5.44 -5.726051888e-02 -5.726051888e-02 5.46 -4.515246880e-02 -4.515246880e-02 5.48 -3.476586299e-02 -3.476586299e-02 5.50 -2.608540371e-02 -2.608540371e-02 5.52 -1.902637324e-02 -1.902637324e-02 5.54 -1.344994505e-02 -1.344994505e-02 5.56 -9.179625132e-03 -9.179625132e-03 5.58 -6.017386506e-03 -6.017386506e-03 5.60 -3.762149688e-03 -3.762149688e-03 5.62 -2.222120408e-03 -2.222120408e-03 5.64 -1.223280539e-03 -1.223280539e-03 5.66 -6.148225331e-04 -6.148225331e-04 5.68 -2.726638592e-04 -2.726638592e-04 5.70 -1.003692221e-04 -1.003692221e-04 5.72 -2.668093649e-05 -2.668093649e-05 5.74 -2.553353929e-06 -2.553353929e-06 5.76 1.429152056e-06 1.429152056e-06 5.78 5.481979512e-07 5.481979512e-07 5.80 -4.484454080e-09 -4.484454080e-09 5.82 -9.691999968e-08 -9.691999968e-08 5.84 -1.767378960e-06 -1.767378960e-06 5.86 -6.600128383e-06 -6.600128383e-06 5.88 -1.660196444e-05 -1.660196444e-05 5.90 -3.335431358e-05 -3.335431358e-05 5.92 -5.906608550e-05 -5.906608550e-05 5.94 -9.510809184e-05 -9.510809184e-05 5.96 -1.430634486e-04 -1.430634486e-04 5.98 -2.051283199e-04 -2.051283199e-04 6.00 -1.450200358e-04 -1.273138325e-04