# 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 = FeMn2Ni # 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 7.337798309e+02 7.337798309e+02 1.00 6.823258841e+02 6.823258841e+02 1.02 6.347507230e+02 6.347507230e+02 1.04 5.905761519e+02 5.905761519e+02 1.06 5.493781441e+02 5.493781441e+02 1.08 5.109326100e+02 5.109326100e+02 1.10 4.749215152e+02 4.749215152e+02 1.12 4.410028624e+02 4.410028624e+02 1.14 4.089460588e+02 4.089460588e+02 1.16 3.786001551e+02 3.786001551e+02 1.18 3.498684486e+02 3.498684486e+02 1.20 3.227219878e+02 3.227219878e+02 1.22 2.971710759e+02 2.971710759e+02 1.24 2.731896467e+02 2.731896467e+02 1.26 2.507398996e+02 2.507398996e+02 1.28 2.297871416e+02 2.297871416e+02 1.30 2.102215830e+02 2.102215830e+02 1.32 1.919052816e+02 1.919052816e+02 1.34 1.747084802e+02 1.747084802e+02 1.36 1.585359069e+02 1.585359069e+02 1.38 1.433405593e+02 1.433405593e+02 1.40 1.291316473e+02 1.291316473e+02 1.42 1.159287828e+02 1.159287828e+02 1.44 1.037205512e+02 1.037205512e+02 1.46 9.246793087e+01 9.246793087e+01 1.48 8.210520476e+01 8.210520476e+01 1.50 7.256473834e+01 7.256473834e+01 1.52 6.379715201e+01 6.379715201e+01 1.54 5.575863698e+01 5.575863698e+01 1.56 4.842951056e+01 4.842951056e+01 1.58 4.180055205e+01 4.180055205e+01 1.60 3.584911455e+01 3.584911455e+01 1.62 3.055230963e+01 3.055230963e+01 1.64 2.588782493e+01 2.588782493e+01 1.66 2.182969460e+01 2.182969460e+01 1.68 1.832778850e+01 1.832778850e+01 1.70 1.516077174e+01 1.516077174e+01 1.72 1.241711845e+01 1.241711845e+01 1.74 1.003352084e+01 1.003352084e+01 1.76 7.956289277e+00 7.956289277e+00 1.78 6.142315565e+00 6.142315565e+00 1.80 4.564728253e+00 4.564728253e+00 1.82 3.209516668e+00 3.209516668e+00 1.84 2.061352996e+00 2.061352996e+00 1.86 1.102322562e+00 1.102322562e+00 1.88 3.137211205e-01 3.137211205e-01 1.90 -3.224431031e-01 -3.224431031e-01 1.92 -8.260856681e-01 -8.260856681e-01 1.94 -1.219792330e+00 -1.219792330e+00 1.96 -1.524794504e+00 -1.524794504e+00 1.98 -1.762820113e+00 -1.762820113e+00 2.00 -1.955832348e+00 -1.955832348e+00 2.02 -2.123338056e+00 -2.123338056e+00 2.04 -2.271080521e+00 -2.271080521e+00 2.06 -2.401531725e+00 -2.401531725e+00 2.08 -2.518785033e+00 -2.518785033e+00 2.10 -2.626177899e+00 -2.626177899e+00 2.12 -2.726157070e+00 -2.726157070e+00 2.14 -2.820030048e+00 -2.820030048e+00 2.16 -2.907970729e+00 -2.907970729e+00 2.18 -2.990001250e+00 -2.990001250e+00 2.20 -3.065028352e+00 -3.065028352e+00 2.22 -3.131380308e+00 -3.131380308e+00 2.24 -3.187954212e+00 -3.187954212e+00 2.26 -3.235721132e+00 -3.235721132e+00 2.28 -3.276087271e+00 -3.276087271e+00 2.30 -3.310638090e+00 -3.310638090e+00 2.32 -3.341027557e+00 -3.341027557e+00 2.34 -3.368773756e+00 -3.368773756e+00 2.36 -3.394962493e+00 -3.394962493e+00 2.38 -3.418823419e+00 -3.418823419e+00 2.40 -3.439216330e+00 -3.439216330e+00 2.42 -3.455011969e+00 -3.455011969e+00 2.44 -3.465075229e+00 -3.465075229e+00 2.46 -3.468312066e+00 -3.468312066e+00 2.48 -3.464288656e+00 -3.464288656e+00 2.50 -3.453061368e+00 -3.453061368e+00 2.52 -3.434861578e+00 -3.434861578e+00 2.54 -3.410169033e+00 -3.410169033e+00 2.56 -3.379483935e+00 -3.379483935e+00 2.58 -3.343289745e+00 -3.343289745e+00 2.60 -3.302012505e+00 -3.302012505e+00 2.62 -3.255981618e+00 -3.255981618e+00 2.64 -3.206100108e+00 -3.206100108e+00 2.66 -3.153590047e+00 -3.153590047e+00 2.68 -3.098639434e+00 -3.098639434e+00 2.70 -3.040852100e+00 -3.040852100e+00 2.72 -2.980087629e+00 -2.980087629e+00 2.74 -2.916762339e+00 -2.916762339e+00 2.76 -2.851352564e+00 -2.851352564e+00 2.78 -2.784333966e+00 -2.784333966e+00 2.80 -2.716180664e+00 -2.716180664e+00 2.82 -2.647369611e+00 -2.647369611e+00 2.84 -2.578521785e+00 -2.578521785e+00 2.86 -2.510521066e+00 -2.510521066e+00 2.88 -2.444279738e+00 -2.444279738e+00 2.90 -2.380713284e+00 -2.380713284e+00 2.92 -2.320746624e+00 -2.320746624e+00 2.94 -2.265163006e+00 -2.265163006e+00 2.96 -2.213305359e+00 -2.213305359e+00 2.98 -2.164025325e+00 -2.164025325e+00 3.00 -2.116171509e+00 -2.116171509e+00 3.02 -2.068614543e+00 -2.068614543e+00 3.04 -2.020512972e+00 -2.020512972e+00 3.06 -1.971128305e+00 -1.971128305e+00 3.08 -1.919440273e+00 -1.919440273e+00 3.10 -1.864421831e+00 -1.864421831e+00 3.12 -1.805043621e+00 -1.805043621e+00 3.14 -1.740274008e+00 -1.740274008e+00 3.16 -1.669190072e+00 -1.669190072e+00 3.18 -1.591787105e+00 -1.591787105e+00 3.20 -1.509517645e+00 -1.509517645e+00 3.22 -1.424053780e+00 -1.424053780e+00 3.24 -1.337065241e+00 -1.337065241e+00 3.26 -1.250219560e+00 -1.250219560e+00 3.28 -1.165183223e+00 -1.165183223e+00 3.30 -1.083621122e+00 -1.083621122e+00 3.32 -1.007112439e+00 -1.007112439e+00 3.34 -9.366117007e-01 -9.366117007e-01 3.36 -8.725777494e-01 -8.725777494e-01 3.38 -8.154302128e-01 -8.154302128e-01 3.40 -7.655446241e-01 -7.655446241e-01 3.42 -7.226005194e-01 -7.226005194e-01 3.44 -6.856994774e-01 -6.856994774e-01 3.46 -6.539222145e-01 -6.539222145e-01 3.48 -6.263741830e-01 -6.263741830e-01 3.50 -6.023678822e-01 -6.023678822e-01 3.52 -5.813092745e-01 -5.813092745e-01 3.54 -5.626031060e-01 -5.626031060e-01 3.56 -5.456523784e-01 -5.456523784e-01 3.58 -5.298582557e-01 -5.298582557e-01 3.60 -5.146200830e-01 -5.146200830e-01 3.62 -4.993349319e-01 -4.993349319e-01 3.64 -4.834545848e-01 -4.834545848e-01 3.66 -4.667286594e-01 -4.667286594e-01 3.68 -4.491728514e-01 -4.491728514e-01 3.70 -4.309049626e-01 -4.309049626e-01 3.72 -4.120352329e-01 -4.120352329e-01 3.74 -3.927165910e-01 -3.927165910e-01 3.76 -3.731757884e-01 -3.731757884e-01 3.78 -3.536173108e-01 -3.536173108e-01 3.80 -3.341773202e-01 -3.341773202e-01 3.82 -3.150262923e-01 -3.150262923e-01 3.84 -2.962531988e-01 -2.962531988e-01 3.86 -2.780017311e-01 -2.780017311e-01 3.88 -2.610311779e-01 -2.610311779e-01 3.90 -2.456157671e-01 -2.456157671e-01 3.92 -2.303417819e-01 -2.303417819e-01 3.94 -2.144194694e-01 -2.144194694e-01 3.96 -1.977665009e-01 -1.977665009e-01 3.98 -1.809690532e-01 -1.809690532e-01 4.00 -1.649733795e-01 -1.649733795e-01 4.02 -1.502151828e-01 -1.502151828e-01 4.04 -1.370053520e-01 -1.370053520e-01 4.06 -1.255110432e-01 -1.255110432e-01 4.08 -1.157692389e-01 -1.157692389e-01 4.10 -1.077393589e-01 -1.077393589e-01 4.12 -1.013483233e-01 -1.013483233e-01 4.14 -9.652469870e-02 -9.652469870e-02 4.16 -9.299437064e-02 -9.299437064e-02 4.18 -8.982342258e-02 -8.982342258e-02 4.20 -8.687622487e-02 -8.687622487e-02 4.22 -8.410935355e-02 -8.410935355e-02 4.24 -8.148333950e-02 -8.148333950e-02 4.26 -7.896056697e-02 -7.896056697e-02 4.28 -7.651252748e-02 -7.651252748e-02 4.30 -7.410680758e-02 -7.410680758e-02 4.32 -7.163372516e-02 -7.163372516e-02 4.34 -6.912922174e-02 -6.912922174e-02 4.36 -6.667678796e-02 -6.667678796e-02 4.38 -6.434435450e-02 -6.434435450e-02 4.40 -6.222341399e-02 -6.222341399e-02 4.42 -6.026556116e-02 -6.026556116e-02 4.44 -5.818649021e-02 -5.818649021e-02 4.46 -5.578394669e-02 -5.578394669e-02 4.48 -5.293382552e-02 -5.293382552e-02 4.50 -4.957675691e-02 -4.957675691e-02 4.52 -4.568888533e-02 -4.568888533e-02 4.54 -4.139671702e-02 -4.139671702e-02 4.56 -3.696594265e-02 -3.696594265e-02 4.58 -3.260042716e-02 -3.260042716e-02 4.60 -2.844820347e-02 -2.844820347e-02 4.62 -2.461204355e-02 -2.461204355e-02 4.64 -2.115876565e-02 -2.115876565e-02 4.66 -1.812744871e-02 -1.812744871e-02 4.68 -1.553669899e-02 -1.553669899e-02 4.70 -1.339108591e-02 -1.339108591e-02 4.72 -1.168683484e-02 -1.168683484e-02 4.74 -1.041683334e-02 -1.041683334e-02 4.76 -9.574972801e-03 -9.574972801e-03 4.78 -9.159688438e-03 -9.159688438e-03 4.80 -9.113054138e-03 -9.113054138e-03 4.82 -9.113054138e-03 -9.113054138e-03 4.84 -9.113054138e-03 -9.113054138e-03 4.86 -9.113054138e-03 -9.113054138e-03 4.88 -9.113054138e-03 -9.113054138e-03 4.90 -9.113054138e-03 -9.113054138e-03 4.92 -9.113054138e-03 -9.113054138e-03 4.94 -9.113054138e-03 -9.113054138e-03 4.96 -9.113054138e-03 -9.113054138e-03 4.98 -9.113054138e-03 -9.113054138e-03 5.00 -9.113054138e-03 -9.113054138e-03 5.02 -9.113054138e-03 -9.113054138e-03 5.04 -9.113054138e-03 -9.113054138e-03 5.06 -9.113054138e-03 -9.113054138e-03 5.08 -9.113054138e-03 -9.113054138e-03 5.10 -9.113054138e-03 -9.113054138e-03 5.12 -9.113054138e-03 -9.113054138e-03 5.14 -9.113054138e-03 -9.113054138e-03 5.16 -9.113054138e-03 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