# 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 = 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 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 3.198788695e+02 3.198788695e+02 0.94 2.996810335e+02 2.996810335e+02 0.96 2.806700415e+02 2.806700415e+02 0.98 2.627783839e+02 2.627783839e+02 1.00 2.459424430e+02 2.459424430e+02 1.02 2.301022466e+02 2.301022466e+02 1.04 2.152012400e+02 2.152012400e+02 1.06 2.011860746e+02 2.011860746e+02 1.08 1.880064130e+02 1.880064130e+02 1.10 1.756147476e+02 1.756147476e+02 1.12 1.639662320e+02 1.639662320e+02 1.14 1.530185248e+02 1.530185248e+02 1.16 1.427316442e+02 1.427316442e+02 1.18 1.330678318e+02 1.330678318e+02 1.20 1.239914260e+02 1.239914260e+02 1.22 1.154687434e+02 1.154687434e+02 1.24 1.074679683e+02 1.074679683e+02 1.26 9.995904798e+01 9.995904798e+01 1.28 9.291359567e+01 9.291359567e+01 1.30 8.630479861e+01 8.630479861e+01 1.32 8.010733176e+01 8.010733176e+01 1.34 7.429727666e+01 7.429727666e+01 1.36 6.885204478e+01 6.885204478e+01 1.38 6.375030537e+01 6.375030537e+01 1.40 5.897191727e+01 5.897191727e+01 1.42 5.449786453e+01 5.449786453e+01 1.44 5.031019555e+01 5.031019555e+01 1.46 4.639196558e+01 4.639196558e+01 1.48 4.272718226e+01 4.272718226e+01 1.50 3.930075413e+01 3.930075413e+01 1.52 3.609844187e+01 3.609844187e+01 1.54 3.310681217e+01 3.310681217e+01 1.56 3.031319396e+01 3.031319396e+01 1.58 2.770563703e+01 2.770563703e+01 1.60 2.527287283e+01 2.527287283e+01 1.62 2.300427728e+01 2.300427728e+01 1.64 2.088983557e+01 2.088983557e+01 1.66 1.892010882e+01 1.892010882e+01 1.68 1.708620248e+01 1.708620248e+01 1.70 1.537973639e+01 1.537973639e+01 1.72 1.379281642e+01 1.379281642e+01 1.74 1.231800763e+01 1.231800763e+01 1.76 1.094830880e+01 1.094830880e+01 1.78 9.677128342e+00 9.677128342e+00 1.80 8.498261517e+00 8.498261517e+00 1.82 7.405868784e+00 7.405868784e+00 1.84 6.394455379e+00 6.394455379e+00 1.86 5.458851941e+00 5.458851941e+00 1.88 4.594196196e+00 4.594196196e+00 1.90 3.795915617e+00 3.795915617e+00 1.92 3.059711017e+00 3.059711017e+00 1.94 2.381541029e+00 2.381541029e+00 1.96 1.757607433e+00 1.757607433e+00 1.98 1.184341264e+00 1.184341264e+00 2.00 6.583896929e-01 6.583896929e-01 2.02 1.766036178e-01 1.766036178e-01 2.04 -2.639740705e-01 -2.639740705e-01 2.06 -6.661195703e-01 -6.661195703e-01 2.08 -1.032438644e+00 -1.032438644e+00 2.10 -1.365376515e+00 -1.365376515e+00 2.12 -1.667227214e+00 -1.667227214e+00 2.14 -1.940142409e+00 -1.940142409e+00 2.16 -2.186139740e+00 -2.186139740e+00 2.18 -2.407110689e+00 -2.407110689e+00 2.20 -2.604828012e+00 -2.604828012e+00 2.22 -2.780952748e+00 -2.780952748e+00 2.24 -2.937040836e+00 -2.937040836e+00 2.26 -3.074549360e+00 -3.074549360e+00 2.28 -3.194842436e+00 -3.194842436e+00 2.30 -3.299196766e+00 -3.299196766e+00 2.32 -3.388806876e+00 -3.388806876e+00 2.34 -3.464790058e+00 -3.464790058e+00 2.36 -3.528191021e+00 -3.528191021e+00 2.38 -3.579986280e+00 -3.579986280e+00 2.40 -3.621088294e+00 -3.621088294e+00 2.42 -3.652349361e+00 -3.652349361e+00 2.44 -3.674565288e+00 -3.674565288e+00 2.46 -3.688478852e+00 -3.688478852e+00 2.48 -3.694783051e+00 -3.694783051e+00 2.50 -3.694124177e+00 -3.694124177e+00 2.52 -3.687104697e+00 -3.687104697e+00 2.54 -3.674285977e+00 -3.674285977e+00 2.56 -3.656190832e+00 -3.656190832e+00 2.58 -3.633305940e+00 -3.633305940e+00 2.60 -3.606084100e+00 -3.606084100e+00 2.62 -3.574946367e+00 -3.574946367e+00 2.64 -3.540284055e+00 -3.540284055e+00 2.66 -3.502460617e+00 -3.502460617e+00 2.68 -3.461813421e+00 -3.461813421e+00 2.70 -3.418655412e+00 -3.418655412e+00 2.72 -3.373276680e+00 -3.373276680e+00 2.74 -3.325945925e+00 -3.325945925e+00 2.76 -3.276911848e+00 -3.276911848e+00 2.78 -3.226404440e+00 -3.226404440e+00 2.80 -3.174636207e+00 -3.174636207e+00 2.82 -3.121803312e+00 -3.121803312e+00 2.84 -3.068086650e+00 -3.068086650e+00 2.86 -3.013652860e+00 -3.013652860e+00 2.88 -2.958655268e+00 -2.958655268e+00 2.90 -2.903234778e+00 -2.903234778e+00 2.92 -2.847520703e+00 -2.847520703e+00 2.94 -2.791631551e+00 -2.791631551e+00 2.96 -2.735675756e+00 -2.735675756e+00 2.98 -2.679752363e+00 -2.679752363e+00 3.00 -2.623951678e+00 -2.623951678e+00 3.02 -2.568355866e+00 -2.568355866e+00 3.04 -2.513039521e+00 -2.513039521e+00 3.06 -2.458070196e+00 -2.458070196e+00 3.08 -2.403508895e+00 -2.403508895e+00 3.10 -2.349410544e+00 -2.349410544e+00 3.12 -2.295824424e+00 -2.295824424e+00 3.14 -2.242794573e+00 -2.242794573e+00 3.16 -2.190360177e+00 -2.190360177e+00 3.18 -2.138555918e+00 -2.138555918e+00 3.20 -2.087412313e+00 -2.087412313e+00 3.22 -2.036956019e+00 -2.036956019e+00 3.24 -1.987210134e+00 -1.987210134e+00 3.26 -1.938194460e+00 -1.938194460e+00 3.28 -1.889925763e+00 -1.889925763e+00 3.30 -1.842418007e+00 -1.842418007e+00 3.32 -1.795682579e+00 -1.795682579e+00 3.34 -1.749728495e+00 -1.749728495e+00 3.36 -1.704562590e+00 -1.704562590e+00 3.38 -1.660189702e+00 -1.660189702e+00 3.40 -1.616612839e+00 -1.616612839e+00 3.42 -1.573833334e+00 -1.573833334e+00 3.44 -1.531850994e+00 -1.531850994e+00 3.46 -1.490664232e+00 -1.490664232e+00 3.48 -1.450270195e+00 -1.450270195e+00 3.50 -1.410664885e+00 -1.410664885e+00 3.52 -1.371843264e+00 -1.371843264e+00 3.54 -1.333799356e+00 -1.333799356e+00 3.56 -1.296526347e+00 -1.296526347e+00 3.58 -1.260016668e+00 -1.260016668e+00 3.60 -1.224262077e+00 -1.224262077e+00 3.62 -1.189253739e+00 -1.189253739e+00 3.64 -1.154982290e+00 -1.154982290e+00 3.66 -1.121437911e+00 -1.121437911e+00 3.68 -1.088610379e+00 -1.088610379e+00 3.70 -1.056489132e+00 -1.056489132e+00 3.72 -1.025063313e+00 -1.025063313e+00 3.74 -9.943218254e-01 -9.943218254e-01 3.76 -9.642533718e-01 -9.642533718e-01 3.78 -9.348464988e-01 -9.348464988e-01 3.80 -9.060896331e-01 -9.060896331e-01 3.82 -8.779571116e-01 -8.779571116e-01 3.84 -8.492784305e-01 -8.492784305e-01 3.86 -8.149034279e-01 -8.149034279e-01 3.88 -7.679023564e-01 -7.679023564e-01 3.90 -7.260879842e-01 -7.260879842e-01 3.92 -7.048778794e-01 -7.048778794e-01 3.94 -6.841537740e-01 -6.841537740e-01 3.96 -6.639048809e-01 -6.639048809e-01 3.98 -6.441204588e-01 -6.441204588e-01 4.00 -6.247898267e-01 -6.247898267e-01 4.02 -6.059023763e-01 -6.059023763e-01 4.04 -5.874475844e-01 -5.874475844e-01 4.06 -5.694150237e-01 -5.694150237e-01 4.08 -5.517943740e-01 -5.517943740e-01 4.10 -5.345754316e-01 -5.345754316e-01 4.12 -5.177481194e-01 -5.177481194e-01 4.14 -5.013024955e-01 -5.013024955e-01 4.16 -4.852287625e-01 -4.852287625e-01 4.18 -4.695172759e-01 -4.695172759e-01 4.20 -4.541585531e-01 -4.541585531e-01 4.22 -4.391432818e-01 -4.391432818e-01 4.24 -4.244623290e-01 -4.244623290e-01 4.26 -4.101067500e-01 -4.101067500e-01 4.28 -3.960677977e-01 -3.960677977e-01 4.30 -3.823369324e-01 -3.823369324e-01 4.32 -3.689058322e-01 -3.689058322e-01 4.34 -3.557664038e-01 -3.557664038e-01 4.36 -3.429107940e-01 -3.429107940e-01 4.38 -3.303314021e-01 -3.303314021e-01 4.40 -3.180208930e-01 -3.180208930e-01 4.42 -3.052893242e-01 -3.052893242e-01 4.44 -2.836960731e-01 -2.836960731e-01 4.46 -2.321451412e-01 -2.321451412e-01 4.48 -1.248502055e-01 -1.248502055e-01 4.50 -1.750571838e-22 -1.751329714e-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 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