# 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 = CoFeMn2 # 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 3.530748077e+02 3.530748077e+02 0.94 3.299980235e+02 3.299980235e+02 0.96 3.083428729e+02 3.083428729e+02 0.98 2.880240749e+02 2.880240749e+02 1.00 2.689614104e+02 2.689614104e+02 1.02 2.510794229e+02 2.510794229e+02 1.04 2.343071358e+02 2.343071358e+02 1.06 2.185777874e+02 2.185777874e+02 1.08 2.038285808e+02 2.038285808e+02 1.10 1.900004494e+02 1.900004494e+02 1.12 1.770378363e+02 1.770378363e+02 1.14 1.648884859e+02 1.648884859e+02 1.16 1.535032490e+02 1.535032490e+02 1.18 1.428358987e+02 1.428358987e+02 1.20 1.328429577e+02 1.328429577e+02 1.22 1.234835353e+02 1.234835353e+02 1.24 1.147191748e+02 1.147191748e+02 1.26 1.065137089e+02 1.065137089e+02 1.28 9.883312503e+01 9.883312503e+01 1.30 9.164543723e+01 9.164543723e+01 1.32 8.492056668e+01 8.492056668e+01 1.34 7.863022876e+01 7.863022876e+01 1.36 7.274782693e+01 7.274782693e+01 1.38 6.724835291e+01 6.724835291e+01 1.40 6.210829270e+01 6.210829270e+01 1.42 5.730553825e+01 5.730553825e+01 1.44 5.281930421e+01 5.281930421e+01 1.46 4.863004975e+01 4.863004975e+01 1.48 4.471940485e+01 4.471940485e+01 1.50 4.107010109e+01 4.107010109e+01 1.52 3.766590637e+01 3.766590637e+01 1.54 3.449156363e+01 3.449156363e+01 1.56 3.153273308e+01 3.153273308e+01 1.58 2.877593789e+01 2.877593789e+01 1.60 2.620851306e+01 2.620851306e+01 1.62 2.381855732e+01 2.381855732e+01 1.64 2.159488789e+01 2.159488789e+01 1.66 1.952699781e+01 1.952699781e+01 1.68 1.760501593e+01 1.760501593e+01 1.70 1.581966913e+01 1.581966913e+01 1.72 1.416224687e+01 1.416224687e+01 1.74 1.262456772e+01 1.262456772e+01 1.76 1.119894798e+01 1.119894798e+01 1.78 9.878172050e+00 9.878172050e+00 1.80 8.655464616e+00 8.655464616e+00 1.82 7.524464438e+00 7.524464438e+00 1.84 6.479199693e+00 6.479199693e+00 1.86 5.514064773e+00 5.514064773e+00 1.88 4.623798447e+00 4.623798447e+00 1.90 3.803463321e+00 3.803463321e+00 1.92 3.048426491e+00 3.048426491e+00 1.94 2.354341353e+00 2.354341353e+00 1.96 1.717130479e+00 1.717130479e+00 1.98 1.132969504e+00 1.132969504e+00 2.00 5.982719611e-01 5.982719611e-01 2.02 1.096750215e-01 1.096750215e-01 2.04 -3.359739386e-01 -3.359739386e-01 2.06 -7.416299659e-01 -7.416299659e-01 2.08 -1.110062416e+00 -1.110062416e+00 2.10 -1.443866139e+00 -1.443866139e+00 2.12 -1.745472000e+00 -1.745472000e+00 2.14 -2.017156781e+00 -2.017156781e+00 2.16 -2.261052495e+00 -2.261052495e+00 2.18 -2.479155148e+00 -2.479155148e+00 2.20 -2.673332984e+00 -2.673332984e+00 2.22 -2.845334243e+00 -2.845334243e+00 2.24 -2.996794454e+00 -2.996794454e+00 2.26 -3.129243299e+00 -3.129243299e+00 2.28 -3.244111069e+00 -3.244111069e+00 2.30 -3.342734737e+00 -3.342734737e+00 2.32 -3.426363668e+00 -3.426363668e+00 2.34 -3.496164994e+00 -3.496164994e+00 2.36 -3.553228660e+00 -3.553228660e+00 2.38 -3.598572179e+00 -3.598572179e+00 2.40 -3.633145100e+00 -3.633145100e+00 2.42 -3.657833207e+00 -3.657833207e+00 2.44 -3.673462468e+00 -3.673462468e+00 2.46 -3.680802751e+00 -3.680802751e+00 2.48 -3.680571313e+00 -3.680571313e+00 2.50 -3.673436083e+00 -3.673436083e+00 2.52 -3.660018748e+00 -3.660018748e+00 2.54 -3.640897648e+00 -3.640897648e+00 2.56 -3.616610507e+00 -3.616610507e+00 2.58 -3.587656987e+00 -3.587656987e+00 2.60 -3.554501100e+00 -3.554501100e+00 2.62 -3.517573465e+00 -3.517573465e+00 2.64 -3.477273434e+00 -3.477273434e+00 2.66 -3.433971084e+00 -3.433971084e+00 2.68 -3.388009092e+00 -3.388009092e+00 2.70 -3.339704496e+00 -3.339704496e+00 2.72 -3.289350343e+00 -3.289350343e+00 2.74 -3.237217249e+00 -3.237217249e+00 2.76 -3.183554836e+00 -3.183554836e+00 2.78 -3.128593115e+00 -3.128593115e+00 2.80 -3.072543769e+00 -3.072543769e+00 2.82 -3.015601347e+00 -3.015601347e+00 2.84 -2.957944396e+00 -2.957944396e+00 2.86 -2.899736519e+00 -2.899736519e+00 2.88 -2.841127366e+00 -2.841127366e+00 2.90 -2.782253567e+00 -2.782253567e+00 2.92 -2.723239602e+00 -2.723239602e+00 2.94 -2.664198619e+00 -2.664198619e+00 2.96 -2.605233199e+00 -2.605233199e+00 2.98 -2.546436072e+00 -2.546436072e+00 3.00 -2.487890792e+00 -2.487890792e+00 3.02 -2.429672363e+00 -2.429672363e+00 3.04 -2.371847832e+00 -2.371847832e+00 3.06 -2.314476836e+00 -2.314476836e+00 3.08 -2.257612123e+00 -2.257612123e+00 3.10 -2.201300038e+00 -2.201300038e+00 3.12 -2.145580973e+00 -2.145580973e+00 3.14 -2.090489797e+00 -2.090489797e+00 3.16 -2.036056258e+00 -2.036056258e+00 3.18 -1.982305356e+00 -1.982305356e+00 3.20 -1.929257708e+00 -1.929257708e+00 3.22 -1.876929877e+00 -1.876929877e+00 3.24 -1.825334700e+00 -1.825334700e+00 3.26 -1.774481590e+00 -1.774481590e+00 3.28 -1.724376836e+00 -1.724376836e+00 3.30 -1.675023886e+00 -1.675023886e+00 3.32 -1.626423628e+00 -1.626423628e+00 3.34 -1.578574667e+00 -1.578574667e+00 3.36 -1.531473601e+00 -1.531473601e+00 3.38 -1.485115297e+00 -1.485115297e+00 3.40 -1.439493180e+00 -1.439493180e+00 3.42 -1.394599522e+00 -1.394599522e+00 3.44 -1.350425753e+00 -1.350425753e+00 3.46 -1.306962778e+00 -1.306962778e+00 3.48 -1.264201319e+00 -1.264201319e+00 3.50 -1.222132279e+00 -1.222132279e+00 3.52 -1.180747116e+00 -1.180747116e+00 3.54 -1.140038255e+00 -1.140038255e+00 3.56 -1.099999511e+00 -1.099999511e+00 3.58 -1.060626527e+00 -1.060626527e+00 3.60 -1.021917226e+00 -1.021917226e+00 3.62 -9.838722654e-01 -9.838722654e-01 3.64 -9.464954691e-01 -9.464954691e-01 3.66 -9.097942361e-01 -9.097942361e-01 3.68 -8.737798908e-01 -8.737798908e-01 3.70 -8.384679542e-01 -8.384679542e-01 3.72 -8.038783053e-01 -8.038783053e-01 3.74 -7.700352004e-01 -7.700352004e-01 3.76 -7.369671193e-01 -7.369671193e-01 3.78 -7.047064106e-01 -7.047064106e-01 3.80 -6.732887126e-01 -6.732887126e-01 3.82 -6.427254199e-01 -6.427254199e-01 3.84 -6.107591244e-01 -6.107591244e-01 3.86 -5.672151394e-01 -5.672151394e-01 3.88 -5.033824243e-01 -5.033824243e-01 3.90 -4.548910558e-01 -4.548910558e-01 3.92 -4.349206356e-01 -4.349206356e-01 3.94 -4.159925463e-01 -4.159925463e-01 3.96 -3.980693676e-01 -3.980693676e-01 3.98 -3.811070697e-01 -3.811070697e-01 4.00 -3.650564076e-01 -3.650564076e-01 4.02 -3.498644278e-01 -3.498644278e-01 4.04 -3.354760009e-01 -3.354760009e-01 4.06 -3.218352983e-01 -3.218352983e-01 4.08 -3.088871428e-01 -3.088871428e-01 4.10 -2.965781791e-01 -2.965781791e-01 4.12 -2.848578267e-01 -2.848578267e-01 4.14 -2.736789955e-01 -2.736789955e-01 4.16 -2.629985632e-01 -2.629985632e-01 4.18 -2.527776250e-01 -2.527776250e-01 4.20 -2.429815409e-01 -2.429815409e-01 4.22 -2.335798121e-01 -2.335798121e-01 4.24 -2.245458248e-01 -2.245458248e-01 4.26 -2.158564984e-01 -2.158564984e-01 4.28 -2.074918772e-01 -2.074918772e-01 4.30 -1.994346983e-01 -1.994346983e-01 4.32 -1.916699637e-01 -1.916699637e-01 4.34 -1.841845392e-01 -1.841845392e-01 4.36 -1.769667935e-01 -1.769667935e-01 4.38 -1.700062878e-01 -1.700062878e-01 4.40 -1.632935176e-01 -1.632935176e-01 4.42 -1.564584246e-01 -1.564584246e-01 4.44 -1.450553681e-01 -1.450553681e-01 4.46 -1.181412010e-01 -1.181412010e-01 4.48 -6.292852139e-02 -6.292852139e-02 4.50 -1.300438333e-22 -1.300159760e-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 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