# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Olsson-P-et-al--Fe-Cr-Ni # implementation = 2017--Bonny-G--Fe-Cr-Ni--LAMMPS--ipr1 # composition = Cr2FeNi # 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 9.330589182e+02 9.330589182e+02 0.98 8.657310644e+02 8.657310644e+02 1.00 8.041852560e+02 8.041852560e+02 1.02 7.478015463e+02 7.478015463e+02 1.04 6.960187813e+02 6.960187813e+02 1.06 6.483186003e+02 6.483186003e+02 1.08 6.042542210e+02 6.042542210e+02 1.10 5.634021327e+02 5.634021327e+02 1.12 5.253418807e+02 5.253418807e+02 1.14 4.896937596e+02 4.896937596e+02 1.16 4.562297356e+02 4.562297356e+02 1.18 4.248025144e+02 4.248025144e+02 1.20 3.952857489e+02 3.952857489e+02 1.22 3.675630562e+02 3.675630562e+02 1.24 3.415347860e+02 3.415347860e+02 1.26 3.170861392e+02 3.170861392e+02 1.28 2.941243433e+02 2.941243433e+02 1.30 2.725642262e+02 2.725642262e+02 1.32 2.523258214e+02 2.523258214e+02 1.34 2.333345965e+02 2.333345965e+02 1.36 2.155170742e+02 2.155170742e+02 1.38 1.987999515e+02 1.987999515e+02 1.40 1.831090621e+02 1.831090621e+02 1.42 1.683742486e+02 1.683742486e+02 1.44 1.545402226e+02 1.545402226e+02 1.46 1.415645220e+02 1.415645220e+02 1.48 1.294031900e+02 1.294031900e+02 1.50 1.180163516e+02 1.180163516e+02 1.52 1.073579485e+02 1.073579485e+02 1.54 9.740521375e+01 9.740521375e+01 1.56 8.812541887e+01 8.812541887e+01 1.58 7.948487687e+01 7.948487687e+01 1.60 7.145080880e+01 7.145080880e+01 1.62 6.399171927e+01 6.399171927e+01 1.64 5.708115812e+01 5.708115812e+01 1.66 5.068904015e+01 5.068904015e+01 1.68 4.478772993e+01 4.478772993e+01 1.70 3.935099196e+01 3.935099196e+01 1.72 3.435445258e+01 3.435445258e+01 1.74 2.977170203e+01 2.977170203e+01 1.76 2.557808468e+01 2.557808468e+01 1.78 2.176919660e+01 2.176919660e+01 1.80 1.837451575e+01 1.837451575e+01 1.82 1.536672475e+01 1.536672475e+01 1.84 1.271530120e+01 1.271530120e+01 1.86 1.039113963e+01 1.039113963e+01 1.88 8.365846050e+00 8.365846050e+00 1.90 6.611857146e+00 6.611857146e+00 1.92 5.102114890e+00 5.102114890e+00 1.94 3.810163497e+00 3.810163497e+00 1.96 2.710010075e+00 2.710010075e+00 1.98 1.776014798e+00 1.776014798e+00 2.00 9.828315298e-01 9.828315298e-01 2.02 3.079265950e-01 3.079265950e-01 2.04 -2.656903698e-01 -2.656903698e-01 2.06 -7.532929635e-01 -7.532929635e-01 2.08 -1.169270889e+00 -1.169270889e+00 2.10 -1.526045136e+00 -1.526045136e+00 2.12 -1.834868662e+00 -1.834868662e+00 2.14 -2.106612799e+00 -2.106612799e+00 2.16 -2.351716785e+00 -2.351716785e+00 2.18 -2.575963800e+00 -2.575963800e+00 2.20 -2.780095981e+00 -2.780095981e+00 2.22 -2.964588193e+00 -2.964588193e+00 2.24 -3.130204022e+00 -3.130204022e+00 2.26 -3.277736504e+00 -3.277736504e+00 2.28 -3.407848800e+00 -3.407848800e+00 2.30 -3.521069532e+00 -3.521069532e+00 2.32 -3.617747091e+00 -3.617747091e+00 2.34 -3.697898991e+00 -3.697898991e+00 2.36 -3.762059473e+00 -3.762059473e+00 2.38 -3.811455608e+00 -3.811455608e+00 2.40 -3.847309690e+00 -3.847309690e+00 2.42 -3.870715514e+00 -3.870715514e+00 2.44 -3.882618748e+00 -3.882618748e+00 2.46 -3.883826732e+00 -3.883826732e+00 2.48 -3.875046728e+00 -3.875046728e+00 2.50 -3.857000988e+00 -3.857000988e+00 2.52 -3.830486998e+00 -3.830486998e+00 2.54 -3.796410326e+00 -3.796410326e+00 2.56 -3.755769991e+00 -3.755769991e+00 2.58 -3.709481250e+00 -3.709481250e+00 2.60 -3.658344295e+00 -3.658344295e+00 2.62 -3.603035470e+00 -3.603035470e+00 2.64 -3.544192750e+00 -3.544192750e+00 2.66 -3.482370778e+00 -3.482370778e+00 2.68 -3.417999278e+00 -3.417999278e+00 2.70 -3.351410246e+00 -3.351410246e+00 2.72 -3.282929095e+00 -3.282929095e+00 2.74 -3.212897768e+00 -3.212897768e+00 2.76 -3.141673847e+00 -3.141673847e+00 2.78 -3.069628776e+00 -3.069628776e+00 2.80 -2.997145248e+00 -2.997145248e+00 2.82 -2.924613054e+00 -2.924613054e+00 2.84 -2.852427598e+00 -2.852427598e+00 2.86 -2.780934683e+00 -2.780934683e+00 2.88 -2.710398591e+00 -2.710398591e+00 2.90 -2.641079744e+00 -2.641079744e+00 2.92 -2.573245123e+00 -2.573245123e+00 2.94 -2.507066102e+00 -2.507066102e+00 2.96 -2.442550317e+00 -2.442550317e+00 2.98 -2.379683023e+00 -2.379683023e+00 3.00 -2.318437656e+00 -2.318437656e+00 3.02 -2.258775670e+00 -2.258775670e+00 3.04 -2.200647065e+00 -2.200647065e+00 3.06 -2.143989331e+00 -2.143989331e+00 3.08 -2.088727083e+00 -2.088727083e+00 3.10 -2.034772177e+00 -2.034772177e+00 3.12 -1.982030706e+00 -1.982030706e+00 3.14 -1.930442405e+00 -1.930442405e+00 3.16 -1.879962654e+00 -1.879962654e+00 3.18 -1.830548582e+00 -1.830548582e+00 3.20 -1.782157960e+00 -1.782157960e+00 3.22 -1.734745136e+00 -1.734745136e+00 3.24 -1.688260726e+00 -1.688260726e+00 3.26 -1.642673130e+00 -1.642673130e+00 3.28 -1.598009037e+00 -1.598009037e+00 3.30 -1.554304274e+00 -1.554304274e+00 3.32 -1.511592856e+00 -1.511592856e+00 3.34 -1.469907308e+00 -1.469907308e+00 3.36 -1.429273366e+00 -1.429273366e+00 3.38 -1.389651585e+00 -1.389651585e+00 3.40 -1.350939186e+00 -1.350939186e+00 3.42 -1.313042598e+00 -1.313042598e+00 3.44 -1.275892049e+00 -1.275892049e+00 3.46 -1.239438058e+00 -1.239438058e+00 3.48 -1.203648238e+00 -1.203648238e+00 3.50 -1.168504248e+00 -1.168504248e+00 3.52 -1.133999077e+00 -1.133999077e+00 3.54 -1.100130040e+00 -1.100130040e+00 3.56 -1.066882362e+00 -1.066882362e+00 3.58 -1.034158967e+00 -1.034158967e+00 3.60 -1.001848298e+00 -1.001848298e+00 3.62 -9.698887047e-01 -9.698887047e-01 3.64 -9.381744361e-01 -9.381744361e-01 3.66 -9.065977075e-01 -9.065977075e-01 3.68 -8.750681872e-01 -8.750681872e-01 3.70 -8.435244541e-01 -8.435244541e-01 3.72 -8.119489869e-01 -8.119489869e-01 3.74 -7.803533521e-01 -7.803533521e-01 3.76 -7.487723157e-01 -7.487723157e-01 3.78 -7.172910566e-01 -7.172910566e-01 3.80 -6.859020631e-01 -6.859020631e-01 3.82 -6.545594868e-01 -6.545594868e-01 3.84 -6.232773876e-01 -6.232773876e-01 3.86 -5.923883684e-01 -5.923883684e-01 3.88 -5.619323360e-01 -5.619323360e-01 3.90 -5.319072809e-01 -5.319072809e-01 3.92 -5.020552812e-01 -5.020552812e-01 3.94 -4.722720466e-01 -4.722720466e-01 3.96 -4.429777485e-01 -4.429777485e-01 3.98 -4.143739911e-01 -4.143739911e-01 4.00 -3.872923101e-01 -3.872923101e-01 4.02 -3.621877263e-01 -3.621877263e-01 4.04 -3.371755203e-01 -3.371755203e-01 4.06 -3.118286924e-01 -3.118286924e-01 4.08 -2.874675352e-01 -2.874675352e-01 4.10 -2.657741255e-01 -2.657741255e-01 4.12 -2.471955622e-01 -2.471955622e-01 4.14 -2.302067326e-01 -2.302067326e-01 4.16 -2.143194270e-01 -2.143194270e-01 4.18 -1.994357243e-01 -1.994357243e-01 4.20 -1.854490302e-01 -1.854490302e-01 4.22 -1.722554874e-01 -1.722554874e-01 4.24 -1.597936858e-01 -1.597936858e-01 4.26 -1.480195317e-01 -1.480195317e-01 4.28 -1.368954423e-01 -1.368954423e-01 4.30 -1.263936707e-01 -1.263936707e-01 4.32 -1.164875057e-01 -1.164875057e-01 4.34 -1.071482547e-01 -1.071482547e-01 4.36 -9.835029340e-02 -9.835029340e-02 4.38 -9.006995569e-02 -9.006995569e-02 4.40 -8.228235212e-02 -8.228235212e-02 4.42 -7.496549463e-02 -7.496549463e-02 4.44 -6.810287777e-02 -6.810287777e-02 4.46 -6.167954831e-02 -6.167954831e-02 4.48 -5.568068394e-02 -5.568068394e-02 4.50 -5.009131711e-02 -5.009131711e-02 4.52 -4.489677519e-02 -4.489677519e-02 4.54 -4.008696100e-02 -4.008696100e-02 4.56 -3.565130745e-02 -3.565130745e-02 4.58 -3.157750341e-02 -3.157750341e-02 4.60 -2.784942948e-02 -2.784942948e-02 4.62 -2.443775122e-02 -2.443775122e-02 4.64 -2.133514628e-02 -2.133514628e-02 4.66 -1.853369985e-02 -1.853369985e-02 4.68 -1.602099041e-02 -1.602099041e-02 4.70 -1.378160429e-02 -1.378160429e-02 4.72 -1.179827869e-02 -1.179827869e-02 4.74 -1.005275364e-02 -1.005275364e-02 4.76 -8.526392098e-03 -8.526392098e-03 4.78 -7.200627982e-03 -7.200627982e-03 4.80 -6.057277585e-03 -6.057277585e-03 4.82 -5.078749537e-03 -5.078749537e-03 4.84 -4.248189674e-03 -4.248189674e-03 4.86 -3.549565498e-03 -3.549565498e-03 4.88 -2.967714069e-03 -2.967714069e-03 4.90 -2.488384571e-03 -2.488384571e-03 4.92 -2.098243025e-03 -2.098243025e-03 4.94 -1.784827251e-03 -1.784827251e-03 4.96 -1.536652969e-03 -1.536652969e-03 4.98 -1.343211699e-03 -1.343211699e-03 5.00 -1.194871074e-03 -1.194871074e-03 5.02 -1.082954657e-03 -1.082954657e-03 5.04 -9.997088361e-04 -9.997088361e-04 5.06 -9.382359906e-04 -9.382359906e-04 5.08 -8.925852234e-04 -8.925852234e-04 5.10 -8.578000910e-04 -8.578000910e-04 5.12 -8.217437106e-04 -8.217437106e-04 5.14 -7.750340098e-04 -7.750340098e-04 5.16 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