# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Co-Mn # implementation = 2025--Sharifi-H--Fe-Co-Mn--LAMMPS--ipr1 # composition = Co2FeMn # 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 2025-07-01 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 9.317634722e+02 9.317634722e+02 1.00 8.453023956e+02 8.453023956e+02 1.02 7.629093650e+02 7.629093650e+02 1.04 6.856018153e+02 6.856018153e+02 1.06 6.139483243e+02 6.139483243e+02 1.08 5.481872151e+02 5.481872151e+02 1.10 4.883194899e+02 4.883194899e+02 1.12 4.341804205e+02 4.341804205e+02 1.14 3.854942479e+02 3.854942479e+02 1.16 3.419155766e+02 3.419155766e+02 1.18 3.030602520e+02 3.030602520e+02 1.20 2.685280451e+02 2.685280451e+02 1.22 2.379189589e+02 2.379189589e+02 1.24 2.108446047e+02 2.108446047e+02 1.26 1.869358182e+02 1.869358182e+02 1.28 1.658474207e+02 1.658474207e+02 1.30 1.472608540e+02 1.472608540e+02 1.32 1.308852495e+02 1.308852495e+02 1.34 1.164573744e+02 1.164573744e+02 1.36 1.037407920e+02 1.037407920e+02 1.38 9.252449764e+01 9.252449764e+01 1.40 8.262123002e+01 8.262123002e+01 1.42 7.386560443e+01 7.386560443e+01 1.44 6.611217242e+01 6.611217242e+01 1.46 5.923349192e+01 5.923349192e+01 1.48 5.311825704e+01 5.311825704e+01 1.50 4.766952514e+01 4.766952514e+01 1.52 4.280306562e+01 4.280306562e+01 1.54 3.844583853e+01 3.844583853e+01 1.56 3.453461362e+01 3.453461362e+01 1.58 3.101472528e+01 3.101472528e+01 1.60 2.783895755e+01 2.783895755e+01 1.62 2.496655481e+01 2.496655481e+01 1.64 2.236234848e+01 2.236234848e+01 1.66 1.999598771e+01 1.999598771e+01 1.68 1.784124848e+01 1.784124848e+01 1.70 1.587543722e+01 1.587543722e+01 1.72 1.407889418e+01 1.407889418e+01 1.74 1.243456493e+01 1.243456493e+01 1.76 1.092762900e+01 1.092762900e+01 1.78 9.545155669e+00 9.545155669e+00 1.80 8.275786113e+00 8.275786113e+00 1.82 7.109505290e+00 7.109505290e+00 1.84 6.037458199e+00 6.037458199e+00 1.86 5.051792496e+00 5.051792496e+00 1.88 4.145524445e+00 4.145524445e+00 1.90 3.312424936e+00 3.312424936e+00 1.92 2.546922549e+00 2.546922549e+00 1.94 1.844021058e+00 1.844021058e+00 1.96 1.199220059e+00 1.199220059e+00 1.98 6.084085162e-01 6.084085162e-01 2.00 6.777113049e-02 6.777113049e-02 2.02 -4.262447306e-01 -4.262447306e-01 2.04 -8.769474557e-01 -8.769474557e-01 2.06 -1.287418228e+00 -1.287418228e+00 2.08 -1.660526813e+00 -1.660526813e+00 2.10 -1.998946172e+00 -1.998946172e+00 2.12 -2.305166045e+00 -2.305166045e+00 2.14 -2.581505546e+00 -2.581505546e+00 2.16 -2.830124850e+00 -2.830124850e+00 2.18 -3.053035925e+00 -3.053035925e+00 2.20 -3.252111568e+00 -3.252111568e+00 2.22 -3.429095697e+00 -3.429095697e+00 2.24 -3.585612783e+00 -3.585612783e+00 2.26 -3.723175928e+00 -3.723175928e+00 2.28 -3.843194386e+00 -3.843194386e+00 2.30 -3.946980572e+00 -3.946980572e+00 2.32 -4.035756588e+00 -4.035756588e+00 2.34 -4.110660309e+00 -4.110660309e+00 2.36 -4.172751056e+00 -4.172751056e+00 2.38 -4.223014884e+00 -4.223014884e+00 2.40 -4.262369513e+00 -4.262369513e+00 2.42 -4.291668628e+00 -4.291668628e+00 2.44 -4.311687837e+00 -4.311687837e+00 2.46 -4.323131582e+00 -4.323131582e+00 2.48 -4.326672212e+00 -4.326672212e+00 2.50 -4.322938887e+00 -4.322938887e+00 2.52 -4.312518675e+00 -4.312518675e+00 2.54 -4.295959164e+00 -4.295959164e+00 2.56 -4.273770917e+00 -4.273770917e+00 2.58 -4.246429774e+00 -4.246429774e+00 2.60 -4.214379006e+00 -4.214379006e+00 2.62 -4.178031339e+00 -4.178031339e+00 2.64 -4.137770845e+00 -4.137770845e+00 2.66 -4.093954717e+00 -4.093954717e+00 2.68 -4.046914930e+00 -4.046914930e+00 2.70 -3.996959790e+00 -3.996959790e+00 2.72 -3.944375397e+00 -3.944375397e+00 2.74 -3.889427002e+00 -3.889427002e+00 2.76 -3.832360283e+00 -3.832360283e+00 2.78 -3.773402546e+00 -3.773402546e+00 2.80 -3.712763842e+00 -3.712763842e+00 2.82 -3.650638023e+00 -3.650638023e+00 2.84 -3.587203737e+00 -3.587203737e+00 2.86 -3.522625357e+00 -3.522625357e+00 2.88 -3.457053873e+00 -3.457053873e+00 2.90 -3.390627726e+00 -3.390627726e+00 2.92 -3.323473610e+00 -3.323473610e+00 2.94 -3.255707240e+00 -3.255707240e+00 2.96 -3.187434083e+00 -3.187434083e+00 2.98 -3.118750074e+00 -3.118750074e+00 3.00 -3.049742307e+00 -3.049742307e+00 3.02 -2.980489719e+00 -2.980489719e+00 3.04 -2.911063754e+00 -2.911063754e+00 3.06 -2.841529032e+00 -2.841529032e+00 3.08 -2.771944017e+00 -2.771944017e+00 3.10 -2.702361680e+00 -2.702361680e+00 3.12 -2.632830180e+00 -2.632830180e+00 3.14 -2.563393546e+00 -2.563393546e+00 3.16 -2.494092379e+00 -2.494092379e+00 3.18 -2.424964556e+00 -2.424964556e+00 3.20 -2.356045957e+00 -2.356045957e+00 3.22 -2.287371194e+00 -2.287371194e+00 3.24 -2.218974348e+00 -2.218974348e+00 3.26 -2.150889707e+00 -2.150889707e+00 3.28 -2.083152492e+00 -2.083152492e+00 3.30 -2.015799560e+00 -2.015799560e+00 3.32 -1.948870080e+00 -1.948870080e+00 3.34 -1.882406143e+00 -1.882406143e+00 3.36 -1.816453312e+00 -1.816453312e+00 3.38 -1.751061073e+00 -1.751061073e+00 3.40 -1.686283169e+00 -1.686283169e+00 3.42 -1.622177801e+00 -1.622177801e+00 3.44 -1.558807663e+00 -1.558807663e+00 3.46 -1.496239809e+00 -1.496239809e+00 3.48 -1.434545320e+00 -1.434545320e+00 3.50 -1.373798777e+00 -1.373798777e+00 3.52 -1.314077532e+00 -1.314077532e+00 3.54 -1.255460792e+00 -1.255460792e+00 3.56 -1.198028520e+00 -1.198028520e+00 3.58 -1.141860200e+00 -1.141860200e+00 3.60 -1.087033487e+00 -1.087033487e+00 3.62 -1.033622786e+00 -1.033622786e+00 3.64 -9.816978217e-01 -9.816978217e-01 3.66 -9.313222432e-01 -9.313222432e-01 3.68 -8.825523157e-01 -8.825523157e-01 3.70 -8.354357598e-01 -8.354357598e-01 3.72 -7.900107771e-01 -7.900107771e-01 3.74 -7.463053028e-01 -7.463053028e-01 3.76 -7.043365121e-01 -7.043365121e-01 3.78 -6.641105960e-01 -6.641105960e-01 3.80 -6.256228113e-01 -6.256228113e-01 3.82 -5.888577932e-01 -5.888577932e-01 3.84 -5.537901136e-01 -5.537901136e-01 3.86 -5.203850550e-01 -5.203850550e-01 3.88 -4.885995621e-01 -4.885995621e-01 3.90 -4.583833328e-01 -4.583833328e-01 3.92 -4.296800017e-01 -4.296800017e-01 3.94 -4.024283756e-01 -4.024283756e-01 3.96 -3.765636760e-01 -3.765636760e-01 3.98 -3.520187542e-01 -3.520187542e-01 4.00 -3.287252422e-01 -3.287252422e-01 4.02 -3.066146154e-01 -3.066146154e-01 4.04 -2.856191438e-01 -2.856191438e-01 4.06 -2.656727188e-01 -2.656727188e-01 4.08 -2.467115450e-01 -2.467115450e-01 4.10 -2.286746963e-01 -2.286746963e-01 4.12 -2.115045356e-01 -2.115045356e-01 4.14 -1.951470065e-01 -1.951470065e-01 4.16 -1.795518047e-01 -1.795518047e-01 4.18 -1.646724425e-01 -1.646724425e-01 4.20 -1.504662190e-01 -1.504662190e-01 4.22 -1.368941115e-01 -1.368941115e-01 4.24 -1.239206031e-01 -1.239206031e-01 4.26 -1.116480961e-01 -1.116480961e-01 4.28 -1.028138469e-01 -1.028138469e-01 4.30 -1.044406546e-01 -1.044406546e-01 4.32 -1.145242291e-01 -1.145242291e-01 4.34 -1.087159129e-01 -1.087159129e-01 4.36 -9.842716823e-02 -9.842716823e-02 4.38 -8.850502642e-02 -8.850502642e-02 4.40 -7.893987046e-02 -7.893987046e-02 4.42 -6.972221719e-02 -6.972221719e-02 4.44 -6.084269815e-02 -6.084269815e-02 4.46 -5.229204840e-02 -5.229204840e-02 4.48 -4.406110194e-02 -4.406110194e-02 4.50 -3.614079284e-02 -3.614079284e-02 4.52 -2.852216076e-02 -2.852216076e-02 4.54 -2.119636008e-02 -2.119636008e-02 4.56 -1.415467133e-02 -1.415467133e-02 4.58 -7.388514284e-03 -7.388514284e-03 4.60 -8.894615871e-04 -8.894615871e-04 4.62 5.350747660e-03 5.350747660e-03 4.64 1.134019514e-02 1.134019514e-02 4.66 1.708677183e-02 1.708677183e-02 4.68 2.259816831e-02 2.259816831e-02 4.70 2.788186708e-02 2.788186708e-02 4.72 3.294513708e-02 3.294513708e-02 4.74 3.779503054e-02 3.779503054e-02 4.76 4.243838199e-02 4.243838199e-02 4.78 4.688180942e-02 4.688180942e-02 4.80 5.113171735e-02 5.113171735e-02 4.82 5.519430148e-02 5.519430148e-02 4.84 5.907555477e-02 5.907555477e-02 4.86 6.278127451e-02 6.278127451e-02 4.88 6.631707008e-02 6.631707008e-02 4.90 6.968837126e-02 6.968837126e-02 4.92 7.260422487e-02 7.260422487e-02 4.94 7.117192929e-02 7.117192929e-02 4.96 5.581453015e-02 5.581453015e-02 4.98 2.176829402e-02 2.176829402e-02 5.00 -1.740701953e-22 -1.750266444e-22 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