# 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 = FeMnNi2 # 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 2024-11-27 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 4.183447491e+02 4.183447491e+02 0.94 3.921449111e+02 3.921449111e+02 0.96 3.674159196e+02 3.674159196e+02 0.98 3.440786431e+02 3.440786431e+02 1.00 3.220590397e+02 3.220590397e+02 1.02 3.012877078e+02 3.012877078e+02 1.04 2.816994686e+02 2.816994686e+02 1.06 2.632329825e+02 2.632329825e+02 1.08 2.458303988e+02 2.458303988e+02 1.10 2.294370393e+02 2.294370393e+02 1.12 2.140011156e+02 2.140011156e+02 1.14 1.994734790e+02 1.994734790e+02 1.16 1.858074003e+02 1.858074003e+02 1.18 1.729583797e+02 1.729583797e+02 1.20 1.608839818e+02 1.608839818e+02 1.22 1.495436957e+02 1.495436957e+02 1.24 1.388988155e+02 1.388988155e+02 1.26 1.289123391e+02 1.289123391e+02 1.28 1.195488828e+02 1.195488828e+02 1.30 1.107746088e+02 1.107746088e+02 1.32 1.025571631e+02 1.025571631e+02 1.34 9.486562132e+01 9.486562132e+01 1.36 8.767044151e+01 8.767044151e+01 1.38 8.094342114e+01 8.094342114e+01 1.40 7.465765734e+01 7.465765734e+01 1.42 6.878750940e+01 6.878750940e+01 1.44 6.330856234e+01 6.330856234e+01 1.46 5.819759108e+01 5.819759108e+01 1.48 5.343252468e+01 5.343252468e+01 1.50 4.899241023e+01 4.899241023e+01 1.52 4.485737648e+01 4.485737648e+01 1.54 4.100859680e+01 4.100859680e+01 1.56 3.742825181e+01 3.742825181e+01 1.58 3.409949154e+01 3.409949154e+01 1.60 3.100639737e+01 3.100639737e+01 1.62 2.813394384e+01 2.813394384e+01 1.64 2.546796050e+01 2.546796050e+01 1.66 2.299509401e+01 2.299509401e+01 1.68 2.070277066e+01 2.070277066e+01 1.70 1.857915937e+01 1.857915937e+01 1.72 1.661313546e+01 1.661313546e+01 1.74 1.479424518e+01 1.479424518e+01 1.76 1.311267120e+01 1.311267120e+01 1.78 1.155919916e+01 1.155919916e+01 1.80 1.012518522e+01 1.012518522e+01 1.82 8.802524889e+00 8.802524889e+00 1.84 7.583622929e+00 7.583622929e+00 1.86 6.461364571e+00 6.461364571e+00 1.88 5.429087926e+00 5.429087926e+00 1.90 4.480557652e+00 4.480557652e+00 1.92 3.609939844e+00 3.609939844e+00 1.94 2.811778148e+00 2.811778148e+00 1.96 2.080971081e+00 2.080971081e+00 1.98 1.412750499e+00 1.412750499e+00 2.00 8.026612207e-01 8.026612207e-01 2.02 2.465417408e-01 2.465417408e-01 2.04 -2.594939941e-01 -2.594939941e-01 2.06 -7.190737866e-01 -7.190737866e-01 2.08 -1.135583412e+00 -1.135583412e+00 2.10 -1.512181907e+00 -1.512181907e+00 2.12 -1.851815968e+00 -1.851815968e+00 2.14 -2.157233486e+00 -2.157233486e+00 2.16 -2.430996297e+00 -2.430996297e+00 2.18 -2.675492138e+00 -2.675492138e+00 2.20 -2.892945897e+00 -2.892945897e+00 2.22 -3.085430166e+00 -3.085430166e+00 2.24 -3.254875143e+00 -3.254875143e+00 2.26 -3.403077924e+00 -3.403077924e+00 2.28 -3.531711216e+00 -3.531711216e+00 2.30 -3.642331499e+00 -3.642331499e+00 2.32 -3.736386682e+00 -3.736386682e+00 2.34 -3.815223267e+00 -3.815223267e+00 2.36 -3.880093065e+00 -3.880093065e+00 2.38 -3.932159479e+00 -3.932159479e+00 2.40 -3.972503393e+00 -3.972503393e+00 2.42 -4.002128673e+00 -4.002128673e+00 2.44 -4.021967322e+00 -4.021967322e+00 2.46 -4.032884303e+00 -4.032884303e+00 2.48 -4.035682045e+00 -4.035682045e+00 2.50 -4.031104661e+00 -4.031104661e+00 2.52 -4.019841890e+00 -4.019841890e+00 2.54 -4.002532787e+00 -4.002532787e+00 2.56 -3.979769162e+00 -3.979769162e+00 2.58 -3.952098807e+00 -3.952098807e+00 2.60 -3.920028500e+00 -3.920028500e+00 2.62 -3.884026821e+00 -3.884026821e+00 2.64 -3.844526777e+00 -3.844526777e+00 2.66 -3.801928254e+00 -3.801928254e+00 2.68 -3.756600308e+00 -3.756600308e+00 2.70 -3.708883281e+00 -3.708883281e+00 2.72 -3.659079549e+00 -3.659079549e+00 2.74 -3.607415907e+00 -3.607415907e+00 2.76 -3.554232194e+00 -3.554232194e+00 2.78 -3.499861028e+00 -3.499861028e+00 2.80 -3.444437656e+00 -3.444437656e+00 2.82 -3.388167880e+00 -3.388167880e+00 2.84 -3.331240284e+00 -3.331240284e+00 2.86 -3.273827458e+00 -3.273827458e+00 2.88 -3.216087145e+00 -3.216087145e+00 2.90 -3.158163306e+00 -3.158163306e+00 2.92 -3.100187116e+00 -3.100187116e+00 2.94 -3.042277885e+00 -3.042277885e+00 2.96 -2.984543923e+00 -2.984543923e+00 2.98 -2.927083339e+00 -2.927083339e+00 3.00 -2.869984790e+00 -2.869984790e+00 3.02 -2.813328168e+00 -2.813328168e+00 3.04 -2.757185249e+00 -2.757185249e+00 3.06 -2.701620290e+00 -2.701620290e+00 3.08 -2.646690582e+00 -2.646690582e+00 3.10 -2.592446968e+00 -2.592446968e+00 3.12 -2.538934319e+00 -2.538934319e+00 3.14 -2.486191975e+00 -2.486191975e+00 3.16 -2.434254155e+00 -2.434254155e+00 3.18 -2.383150333e+00 -2.383150333e+00 3.20 -2.332905592e+00 -2.332905592e+00 3.22 -2.283540940e+00 -2.283540940e+00 3.24 -2.235073607e+00 -2.235073607e+00 3.26 -2.187517322e+00 -2.187517322e+00 3.28 -2.140882558e+00 -2.140882558e+00 3.30 -2.095176764e+00 -2.095176764e+00 3.32 -2.050404573e+00 -2.050404573e+00 3.34 -2.006567995e+00 -2.006567995e+00 3.36 -1.963666591e+00 -1.963666591e+00 3.38 -1.921697632e+00 -1.921697632e+00 3.40 -1.880656245e+00 -1.880656245e+00 3.42 -1.840535540e+00 -1.840535540e+00 3.44 -1.801326737e+00 -1.801326737e+00 3.46 -1.763019267e+00 -1.763019267e+00 3.48 -1.725600875e+00 -1.725600875e+00 3.50 -1.689057710e+00 -1.689057710e+00 3.52 -1.653374411e+00 -1.653374411e+00 3.54 -1.618534184e+00 -1.618534184e+00 3.56 -1.584518873e+00 -1.584518873e+00 3.58 -1.551309041e+00 -1.551309041e+00 3.60 -1.518884034e+00 -1.518884034e+00 3.62 -1.487222055e+00 -1.487222055e+00 3.64 -1.456300244e+00 -1.456300244e+00 3.66 -1.426094753e+00 -1.426094753e+00 3.68 -1.396580833e+00 -1.396580833e+00 3.70 -1.367732932e+00 -1.367732932e+00 3.72 -1.339524800e+00 -1.339524800e+00 3.74 -1.311929602e+00 -1.311929602e+00 3.76 -1.284920055e+00 -1.284920055e+00 3.78 -1.258468568e+00 -1.258468568e+00 3.80 -1.232547403e+00 -1.232547403e+00 3.82 -1.207129589e+00 -1.207129589e+00 3.84 -1.182235732e+00 -1.182235732e+00 3.86 -1.156414885e+00 -1.156414885e+00 3.88 -1.105742815e+00 -1.105742815e+00 3.90 -1.028258195e+00 -1.028258195e+00 3.92 -1.002293449e+00 -1.002293449e+00 3.94 -9.767414317e-01 -9.767414317e-01 3.96 -9.516048187e-01 -9.516048187e-01 3.98 -9.268847504e-01 -9.268847504e-01 4.00 -9.025810846e-01 -9.025810846e-01 4.02 -8.786926335e-01 -8.786926335e-01 4.04 -8.552173751e-01 -8.552173751e-01 4.06 -8.321526347e-01 -8.321526347e-01 4.08 -8.094952333e-01 -8.094952333e-01 4.10 -7.872416055e-01 -7.872416055e-01 4.12 -7.653878906e-01 -7.653878906e-01 4.14 -7.439300010e-01 -7.439300010e-01 4.16 -7.228636742e-01 -7.228636742e-01 4.18 -7.021845109e-01 -7.021845109e-01 4.20 -6.818880046e-01 -6.818880046e-01 4.22 -6.619695646e-01 -6.619695646e-01 4.24 -6.424245344e-01 -6.424245344e-01 4.26 -6.232482080e-01 -6.232482080e-01 4.28 -6.044358432e-01 -6.044358432e-01 4.30 -5.859826750e-01 -5.859826750e-01 4.32 -5.678839261e-01 -5.678839261e-01 4.34 -5.501348185e-01 -5.501348185e-01 4.36 -5.327305828e-01 -5.327305828e-01 4.38 -5.156664677e-01 -5.156664677e-01 4.40 -4.989377488e-01 -4.989377488e-01 4.42 -4.817068899e-01 -4.817068899e-01 4.44 -4.535509642e-01 -4.535509642e-01 4.46 -3.857758469e-01 -3.857758469e-01 4.48 -2.270722838e-01 -2.270722838e-01 4.50 -2.564458571e-22 -2.563880344e-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