# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Cr2MnNi # 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 5.463274678e+02 5.463274678e+02 0.94 5.079042827e+02 5.079042827e+02 0.96 4.720359852e+02 4.720359852e+02 0.98 4.385589155e+02 4.385589155e+02 1.00 4.073196311e+02 4.073196311e+02 1.02 3.781742752e+02 3.781742752e+02 1.04 3.509879845e+02 3.509879845e+02 1.06 3.256343347e+02 3.256343347e+02 1.08 3.019948088e+02 3.019948088e+02 1.10 2.799583113e+02 2.799583113e+02 1.12 2.594207273e+02 2.594207273e+02 1.14 2.402844921e+02 2.402844921e+02 1.16 2.224581863e+02 2.224581863e+02 1.18 2.058561558e+02 2.058561558e+02 1.20 1.903981562e+02 1.903981562e+02 1.22 1.760090183e+02 1.760090183e+02 1.24 1.626183432e+02 1.626183432e+02 1.26 1.501602130e+02 1.501602130e+02 1.28 1.385728946e+02 1.385728946e+02 1.30 1.277985797e+02 1.277985797e+02 1.32 1.177831434e+02 1.177831434e+02 1.34 1.084759169e+02 1.084759169e+02 1.36 9.982947390e+01 9.982947390e+01 1.38 9.179943040e+01 9.179943040e+01 1.40 8.434425604e+01 8.434425604e+01 1.42 7.742509427e+01 7.742509427e+01 1.44 7.100558136e+01 7.100558136e+01 1.46 6.505170717e+01 6.505170717e+01 1.48 5.953167652e+01 5.953167652e+01 1.50 5.441576989e+01 5.441576989e+01 1.52 4.967621287e+01 4.967621287e+01 1.54 4.528705353e+01 4.528705353e+01 1.56 4.122404743e+01 4.122404743e+01 1.58 3.746454979e+01 3.746454979e+01 1.60 3.398741422e+01 3.398741422e+01 1.62 3.077289779e+01 3.077289779e+01 1.64 2.780257682e+01 2.780257682e+01 1.66 2.505927719e+01 2.505927719e+01 1.68 2.252697569e+01 2.252697569e+01 1.70 2.019072106e+01 2.019072106e+01 1.72 1.803656610e+01 1.803656610e+01 1.74 1.605150381e+01 1.605150381e+01 1.76 1.422340751e+01 1.422340751e+01 1.78 1.254097446e+01 1.254097446e+01 1.80 1.099367292e+01 1.099367292e+01 1.82 9.571692503e+00 9.571692503e+00 1.84 8.265897412e+00 8.265897412e+00 1.86 7.067782607e+00 7.067782607e+00 1.88 5.969432121e+00 5.969432121e+00 1.90 4.963466620e+00 4.963466620e+00 1.92 4.043008835e+00 4.043008835e+00 1.94 3.201667746e+00 3.201667746e+00 1.96 2.433506696e+00 2.433506696e+00 1.98 1.733012503e+00 1.733012503e+00 2.00 1.095066555e+00 1.095066555e+00 2.02 5.149177511e-01 5.149177511e-01 2.04 -1.184280908e-02 -1.184280908e-02 2.06 -4.893054940e-01 -4.893054940e-01 2.08 -9.212642662e-01 -9.212642662e-01 2.10 -1.311237359e+00 -1.311237359e+00 2.12 -1.662486584e+00 -1.662486584e+00 2.14 -1.978035360e+00 -1.978035360e+00 2.16 -2.260685526e+00 -2.260685526e+00 2.18 -2.513027865e+00 -2.513027865e+00 2.20 -2.737440838e+00 -2.737440838e+00 2.22 -2.936124824e+00 -2.936124824e+00 2.24 -3.111121114e+00 -3.111121114e+00 2.26 -3.264322980e+00 -3.264322980e+00 2.28 -3.397485997e+00 -3.397485997e+00 2.30 -3.512237658e+00 -3.512237658e+00 2.32 -3.610086341e+00 -3.610086341e+00 2.34 -3.692429669e+00 -3.692429669e+00 2.36 -3.760562288e+00 -3.760562288e+00 2.38 -3.815683116e+00 -3.815683116e+00 2.40 -3.858902096e+00 -3.858902096e+00 2.42 -3.891246468e+00 -3.891246468e+00 2.44 -3.913666625e+00 -3.913666625e+00 2.46 -3.927041548e+00 -3.927041548e+00 2.48 -3.932183869e+00 -3.932183869e+00 2.50 -3.929844583e+00 -3.929844583e+00 2.52 -3.920715405e+00 -3.920715405e+00 2.54 -3.905406875e+00 -3.905406875e+00 2.56 -3.884459438e+00 -3.884459438e+00 2.58 -3.858375275e+00 -3.858375275e+00 2.60 -3.827622253e+00 -3.827622253e+00 2.62 -3.792636059e+00 -3.792636059e+00 2.64 -3.753822226e+00 -3.753822226e+00 2.66 -3.711558015e+00 -3.711558015e+00 2.68 -3.666194194e+00 -3.666194194e+00 2.70 -3.618056702e+00 -3.618056702e+00 2.72 -3.567448219e+00 -3.567448219e+00 2.74 -3.514649637e+00 -3.514649637e+00 2.76 -3.459921445e+00 -3.459921445e+00 2.78 -3.403505029e+00 -3.403505029e+00 2.80 -3.345623907e+00 -3.345623907e+00 2.82 -3.286484874e+00 -3.286484874e+00 2.84 -3.226279095e+00 -3.226279095e+00 2.86 -3.165183130e+00 -3.165183130e+00 2.88 -3.103359897e+00 -3.103359897e+00 2.90 -3.040959588e+00 -3.040959588e+00 2.92 -2.978120522e+00 -2.978120522e+00 2.94 -2.914969959e+00 -2.914969959e+00 2.96 -2.851624865e+00 -2.851624865e+00 2.98 -2.788192632e+00 -2.788192632e+00 3.00 -2.724771760e+00 -2.724771760e+00 3.02 -2.661452500e+00 -2.661452500e+00 3.04 -2.598317463e+00 -2.598317463e+00 3.06 -2.535442187e+00 -2.535442187e+00 3.08 -2.472895684e+00 -2.472895684e+00 3.10 -2.410740948e+00 -2.410740948e+00 3.12 -2.349035433e+00 -2.349035433e+00 3.14 -2.287831508e+00 -2.287831508e+00 3.16 -2.227176881e+00 -2.227176881e+00 3.18 -2.167115002e+00 -2.167115002e+00 3.20 -2.107685434e+00 -2.107685434e+00 3.22 -2.048924207e+00 -2.048924207e+00 3.24 -1.990864143e+00 -1.990864143e+00 3.26 -1.933535163e+00 -1.933535163e+00 3.28 -1.876964568e+00 -1.876964568e+00 3.30 -1.821177298e+00 -1.821177298e+00 3.32 -1.766196171e+00 -1.766196171e+00 3.34 -1.712042100e+00 -1.712042100e+00 3.36 -1.658734286e+00 -1.658734286e+00 3.38 -1.606290398e+00 -1.606290398e+00 3.40 -1.554726719e+00 -1.554726719e+00 3.42 -1.504058286e+00 -1.504058286e+00 3.44 -1.454298998e+00 -1.454298998e+00 3.46 -1.405461715e+00 -1.405461715e+00 3.48 -1.357558324e+00 -1.357558324e+00 3.50 -1.310599806e+00 -1.310599806e+00 3.52 -1.264596265e+00 -1.264596265e+00 3.54 -1.219556954e+00 -1.219556954e+00 3.56 -1.175490285e+00 -1.175490285e+00 3.58 -1.132403813e+00 -1.132403813e+00 3.60 -1.090304226e+00 -1.090304226e+00 3.62 -1.049197306e+00 -1.049197306e+00 3.64 -1.009087896e+00 -1.009087896e+00 3.66 -9.699798472e-01 -9.699798472e-01 3.68 -9.318759732e-01 -9.318759732e-01 3.70 -8.947779908e-01 -8.947779908e-01 3.72 -8.586864671e-01 -8.586864671e-01 3.74 -8.236007641e-01 -8.236007641e-01 3.76 -7.895189889e-01 -7.895189889e-01 3.78 -7.564379476e-01 -7.564379476e-01 3.80 -7.243531073e-01 -7.243531073e-01 3.82 -6.932177138e-01 -6.932177138e-01 3.84 -6.594886347e-01 -6.594886347e-01 3.86 -6.066756280e-01 -6.066756280e-01 3.88 -5.130130759e-01 -5.130130759e-01 3.90 -4.311768546e-01 -4.311768546e-01 3.92 -4.101229272e-01 -4.101229272e-01 3.94 -3.898551486e-01 -3.898551486e-01 3.96 -3.703592243e-01 -3.703592243e-01 3.98 -3.516198761e-01 -3.516198761e-01 4.00 -3.336209100e-01 -3.336209100e-01 4.02 -3.163452929e-01 -3.163452929e-01 4.04 -2.997752343e-01 -2.997752343e-01 4.06 -2.838922729e-01 -2.838922729e-01 4.08 -2.686773679e-01 -2.686773679e-01 4.10 -2.541109920e-01 -2.541109920e-01 4.12 -2.401732258e-01 -2.401732258e-01 4.14 -2.268438526e-01 -2.268438526e-01 4.16 -2.141024522e-01 -2.141024522e-01 4.18 -2.019284923e-01 -2.019284923e-01 4.20 -1.903014170e-01 -1.903014170e-01 4.22 -1.792007320e-01 -1.792007320e-01 4.24 -1.686060842e-01 -1.686060842e-01 4.26 -1.584973365e-01 -1.584973365e-01 4.28 -1.488546373e-01 -1.488546373e-01 4.30 -1.396584827e-01 -1.396584827e-01 4.32 -1.308897735e-01 -1.308897735e-01 4.34 -1.225298651e-01 -1.225298651e-01 4.36 -1.145606104e-01 -1.145606104e-01 4.38 -1.069643968e-01 -1.069643968e-01 4.40 -9.972417622e-02 -9.972417622e-02 4.42 -9.255216058e-02 -9.255216058e-02 4.44 -8.225638293e-02 -8.225638293e-02 4.46 -6.207366162e-02 -6.207366162e-02 4.48 -2.823251850e-02 -2.823251850e-02 4.50 -1.284026455e-22 -1.279001729e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 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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