# 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 = CrFe2Ni # 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 5.139253834e+02 5.139253834e+02 0.94 4.786889651e+02 4.786889651e+02 0.96 4.457287645e+02 4.457287645e+02 0.98 4.149026197e+02 4.149026197e+02 1.00 3.860771213e+02 3.860771213e+02 1.02 3.591270705e+02 3.591270705e+02 1.04 3.339349696e+02 3.339349696e+02 1.06 3.103905468e+02 3.103905468e+02 1.08 2.883903212e+02 2.883903212e+02 1.10 2.678371837e+02 2.678371837e+02 1.12 2.486399848e+02 2.486399848e+02 1.14 2.307131694e+02 2.307131694e+02 1.16 2.139764354e+02 2.139764354e+02 1.18 1.983544131e+02 1.983544131e+02 1.20 1.837763654e+02 1.837763654e+02 1.22 1.701759058e+02 1.701759058e+02 1.24 1.574907240e+02 1.574907240e+02 1.26 1.456623326e+02 1.456623326e+02 1.28 1.346358573e+02 1.346358573e+02 1.30 1.243598192e+02 1.243598192e+02 1.32 1.147859279e+02 1.147859279e+02 1.34 1.058688873e+02 1.058688873e+02 1.36 9.756621355e+01 9.756621355e+01 1.38 8.983806368e+01 8.983806368e+01 1.40 8.264707563e+01 8.264707563e+01 1.42 7.595822080e+01 7.595822080e+01 1.44 6.973867966e+01 6.973867966e+01 1.46 6.395768907e+01 6.395768907e+01 1.48 5.858640808e+01 5.858640808e+01 1.50 5.359780220e+01 5.359780220e+01 1.52 4.896653458e+01 4.896653458e+01 1.54 4.466886353e+01 4.466886353e+01 1.56 4.068254606e+01 4.068254606e+01 1.58 3.698674712e+01 3.698674712e+01 1.60 3.356195417e+01 3.356195417e+01 1.62 3.038989671e+01 3.038989671e+01 1.64 2.745346483e+01 2.745346483e+01 1.66 2.473662191e+01 2.473662191e+01 1.68 2.222436098e+01 2.222436098e+01 1.70 1.990264793e+01 1.990264793e+01 1.72 1.775836076e+01 1.775836076e+01 1.74 1.577923262e+01 1.577923262e+01 1.76 1.395379822e+01 1.395379822e+01 1.78 1.227134358e+01 1.227134358e+01 1.80 1.072185880e+01 1.072185880e+01 1.82 9.295993730e+00 9.295993730e+00 1.84 7.985016339e+00 7.985016339e+00 1.86 6.780773628e+00 6.780773628e+00 1.88 5.675655505e+00 5.675655505e+00 1.90 4.662576366e+00 4.662576366e+00 1.92 3.734940734e+00 3.734940734e+00 1.94 2.886591641e+00 2.886591641e+00 1.96 2.111782046e+00 2.111782046e+00 1.98 1.405149141e+00 1.405149141e+00 2.00 7.616901837e-01 7.616901837e-01 2.02 1.767397730e-01 1.767397730e-01 2.04 -3.540515205e-01 -3.540515205e-01 2.06 -8.347372400e-01 -8.347372400e-01 2.08 -1.269093921e+00 -1.269093921e+00 2.10 -1.660638830e+00 -1.660638830e+00 2.12 -2.012646634e+00 -2.012646634e+00 2.14 -2.328165047e+00 -2.328165047e+00 2.16 -2.610029528e+00 -2.610029528e+00 2.18 -2.860882582e+00 -2.860882582e+00 2.20 -3.083194393e+00 -3.083194393e+00 2.22 -3.279254629e+00 -3.279254629e+00 2.24 -3.451187679e+00 -3.451187679e+00 2.26 -3.600964212e+00 -3.600964212e+00 2.28 -3.730411587e+00 -3.730411587e+00 2.30 -3.841223582e+00 -3.841223582e+00 2.32 -3.934969513e+00 -3.934969513e+00 2.34 -4.013102747e+00 -4.013102747e+00 2.36 -4.076968677e+00 -4.076968677e+00 2.38 -4.127812171e+00 -4.127812171e+00 2.40 -4.166784535e+00 -4.166784535e+00 2.42 -4.194950027e+00 -4.194950027e+00 2.44 -4.213291935e+00 -4.213291935e+00 2.46 -4.222718258e+00 -4.222718258e+00 2.48 -4.224067013e+00 -4.224067013e+00 2.50 -4.218109570e+00 -4.218109570e+00 2.52 -4.205536109e+00 -4.205536109e+00 2.54 -4.186970042e+00 -4.186970042e+00 2.56 -4.162988322e+00 -4.162988322e+00 2.58 -4.134124921e+00 -4.134124921e+00 2.60 -4.100873737e+00 -4.100873737e+00 2.62 -4.063691318e+00 -4.063691318e+00 2.64 -4.022999409e+00 -4.022999409e+00 2.66 -3.979187338e+00 -3.979187338e+00 2.68 -3.932614246e+00 -3.932614246e+00 2.70 -3.883611130e+00 -3.883611130e+00 2.72 -3.832463334e+00 -3.832463334e+00 2.74 -3.779343787e+00 -3.779343787e+00 2.76 -3.724638366e+00 -3.724638366e+00 2.78 -3.668737633e+00 -3.668737633e+00 2.80 -3.611704564e+00 -3.611704564e+00 2.82 -3.553738375e+00 -3.553738375e+00 2.84 -3.495021433e+00 -3.495021433e+00 2.86 -3.435720463e+00 -3.435720463e+00 2.88 -3.375987683e+00 -3.375987683e+00 2.90 -3.315961855e+00 -3.315961855e+00 2.92 -3.255769270e+00 -3.255769270e+00 2.94 -3.195524665e+00 -3.195524665e+00 2.96 -3.135332078e+00 -3.135332078e+00 2.98 -3.075285648e+00 -3.075285648e+00 3.00 -3.015470353e+00 -3.015470353e+00 3.02 -2.955962704e+00 -2.955962704e+00 3.04 -2.896831389e+00 -2.896831389e+00 3.06 -2.838137871e+00 -2.838137871e+00 3.08 -2.779936948e+00 -2.779936948e+00 3.10 -2.722277270e+00 -2.722277270e+00 3.12 -2.665201821e+00 -2.665201821e+00 3.14 -2.608748369e+00 -2.608748369e+00 3.16 -2.552949882e+00 -2.552949882e+00 3.18 -2.497834915e+00 -2.497834915e+00 3.20 -2.443427968e+00 -2.443427968e+00 3.22 -2.389749822e+00 -2.389749822e+00 3.24 -2.336817846e+00 -2.336817846e+00 3.26 -2.284646285e+00 -2.284646285e+00 3.28 -2.233246526e+00 -2.233246526e+00 3.30 -2.182627344e+00 -2.182627344e+00 3.32 -2.132795130e+00 -2.132795130e+00 3.34 -2.083754102e+00 -2.083754102e+00 3.36 -2.035506502e+00 -2.035506502e+00 3.38 -1.988052774e+00 -1.988052774e+00 3.40 -1.941391733e+00 -1.941391733e+00 3.42 -1.895520717e+00 -1.895520717e+00 3.44 -1.850435735e+00 -1.850435735e+00 3.46 -1.806131589e+00 -1.806131589e+00 3.48 -1.762602003e+00 -1.762602003e+00 3.50 -1.719839735e+00 -1.719839735e+00 3.52 -1.677836672e+00 -1.677836672e+00 3.54 -1.636583935e+00 -1.636583935e+00 3.56 -1.596071958e+00 -1.596071958e+00 3.58 -1.556290574e+00 -1.556290574e+00 3.60 -1.517229087e+00 -1.517229087e+00 3.62 -1.478876340e+00 -1.478876340e+00 3.64 -1.441220779e+00 -1.441220779e+00 3.66 -1.404250509e+00 -1.404250509e+00 3.68 -1.367953351e+00 -1.367953351e+00 3.70 -1.332316888e+00 -1.332316888e+00 3.72 -1.297328513e+00 -1.297328513e+00 3.74 -1.262975470e+00 -1.262975470e+00 3.76 -1.229244896e+00 -1.229244896e+00 3.78 -1.196123859e+00 -1.196123859e+00 3.80 -1.163599387e+00 -1.163599387e+00 3.82 -1.131610828e+00 -1.131610828e+00 3.84 -1.095970874e+00 -1.095970874e+00 3.86 -1.037208242e+00 -1.037208242e+00 3.88 -9.327390698e-01 -9.327390698e-01 3.90 -8.461578714e-01 -8.461578714e-01 3.92 -8.208809604e-01 -8.208809604e-01 3.94 -7.960072462e-01 -7.960072462e-01 3.96 -7.715279201e-01 -7.715279201e-01 3.98 -7.474345271e-01 -7.474345271e-01 4.00 -7.237190067e-01 -7.237190067e-01 4.02 -7.003737357e-01 -7.003737357e-01 4.04 -6.773915711e-01 -6.773915711e-01 4.06 -6.547658948e-01 -6.547658948e-01 4.08 -6.324906590e-01 -6.324906590e-01 4.10 -6.105604320e-01 -6.105604320e-01 4.12 -5.889704430e-01 -5.889704430e-01 4.14 -5.677166272e-01 -5.677166272e-01 4.16 -5.467956677e-01 -5.467956677e-01 4.18 -5.262050350e-01 -5.262050350e-01 4.20 -5.059430224e-01 -5.059430224e-01 4.22 -4.860087751e-01 -4.860087751e-01 4.24 -4.664023123e-01 -4.664023123e-01 4.26 -4.471245401e-01 -4.471245401e-01 4.28 -4.281772529e-01 -4.281772529e-01 4.30 -4.095631228e-01 -4.095631228e-01 4.32 -3.912856736e-01 -3.912856736e-01 4.34 -3.733492386e-01 -3.733492386e-01 4.36 -3.557589011e-01 -3.557589011e-01 4.38 -3.385204148e-01 -3.385204148e-01 4.40 -3.216401059e-01 -3.216401059e-01 4.42 -3.043510897e-01 -3.043510897e-01 4.44 -2.773379513e-01 -2.773379513e-01 4.46 -2.190198552e-01 -2.190198552e-01 4.48 -1.098529604e-01 -1.098529604e-01 4.50 -1.700628870e-22 -1.702089301e-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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