# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = Cr2FeNi # 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 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 2.813199897e+04 2.813199897e+04 1.02 2.583164573e+04 2.583164573e+04 1.04 2.372381389e+04 2.372381389e+04 1.06 2.179417104e+04 2.179417104e+04 1.08 2.002544382e+04 2.002544382e+04 1.10 1.840003548e+04 1.840003548e+04 1.12 1.690389195e+04 1.690389195e+04 1.14 1.552486418e+04 1.552486418e+04 1.16 1.425282600e+04 1.425282600e+04 1.18 1.307929816e+04 1.307929816e+04 1.20 1.199587495e+04 1.199587495e+04 1.22 1.099355186e+04 1.099355186e+04 1.24 1.006519285e+04 1.006519285e+04 1.26 9.204241355e+03 9.204241355e+03 1.28 8.404454792e+03 8.404454792e+03 1.30 7.660437907e+03 7.660437907e+03 1.32 6.967770742e+03 6.967770742e+03 1.34 6.323407725e+03 6.323407725e+03 1.36 5.725607319e+03 5.725607319e+03 1.38 5.172034594e+03 5.172034594e+03 1.40 4.657857542e+03 4.657857542e+03 1.42 4.178545731e+03 4.178545731e+03 1.44 3.731321988e+03 3.731321988e+03 1.46 3.313851836e+03 3.313851836e+03 1.48 2.923924679e+03 2.923924679e+03 1.50 2.559739942e+03 2.559739942e+03 1.52 2.219461469e+03 2.219461469e+03 1.54 1.901149623e+03 1.901149623e+03 1.56 1.603060467e+03 1.603060467e+03 1.58 1.323871506e+03 1.323871506e+03 1.60 1.062963849e+03 1.062963849e+03 1.62 8.349143239e+02 8.349143239e+02 1.64 6.558025868e+02 6.558025868e+02 1.66 5.154679163e+02 5.154679163e+02 1.68 4.055386954e+02 4.055386954e+02 1.70 3.192753240e+02 3.192753240e+02 1.72 2.513962714e+02 2.513962714e+02 1.74 1.978672119e+02 1.978672119e+02 1.76 1.555990472e+02 1.555990472e+02 1.78 1.221975059e+02 1.221975059e+02 1.80 9.579941944e+01 9.579941944e+01 1.82 7.494983786e+01 7.494983786e+01 1.84 5.848257183e+01 5.848257183e+01 1.86 4.546299799e+01 4.546299799e+01 1.88 3.516454647e+01 3.516454647e+01 1.90 2.702224160e+01 2.702224160e+01 1.92 2.058993761e+01 2.058993761e+01 1.94 1.551179284e+01 1.551179284e+01 1.96 1.150275669e+01 1.150275669e+01 1.98 8.335069242e+00 8.335069242e+00 2.00 5.827423989e+00 5.827423989e+00 2.02 3.836135118e+00 3.836135118e+00 2.04 2.252078776e+00 2.252078776e+00 2.06 9.901422634e-01 9.901422634e-01 2.08 -1.667882066e-02 -1.667882066e-02 2.10 -8.211746086e-01 -8.211746086e-01 2.12 -1.465043731e+00 -1.465043731e+00 2.14 -1.981551672e+00 -1.981551672e+00 2.16 -2.396581704e+00 -2.396581704e+00 2.18 -2.730526175e+00 -2.730526175e+00 2.20 -2.999363015e+00 -2.999363015e+00 2.22 -3.215338642e+00 -3.215338642e+00 2.24 -3.387912075e+00 -3.387912075e+00 2.26 -3.524662763e+00 -3.524662763e+00 2.28 -3.632055518e+00 -3.632055518e+00 2.30 -3.716118678e+00 -3.716118678e+00 2.32 -3.782696616e+00 -3.782696616e+00 2.34 -3.837202993e+00 -3.837202993e+00 2.36 -3.884113100e+00 -3.884113100e+00 2.38 -3.925573031e+00 -3.925573031e+00 2.40 -3.961421692e+00 -3.961421692e+00 2.42 -3.990722234e+00 -3.990722234e+00 2.44 -4.012786808e+00 -4.012786808e+00 2.46 -4.027384931e+00 -4.027384931e+00 2.48 -4.034555553e+00 -4.034555553e+00 2.50 -4.034302908e+00 -4.034302908e+00 2.52 -4.026544017e+00 -4.026544017e+00 2.54 -4.011158594e+00 -4.011158594e+00 2.56 -3.988073636e+00 -3.988073636e+00 2.58 -3.957631110e+00 -3.957631110e+00 2.60 -3.920379953e+00 -3.920379953e+00 2.62 -3.877046824e+00 -3.877046824e+00 2.64 -3.828395616e+00 -3.828395616e+00 2.66 -3.775216205e+00 -3.775216205e+00 2.68 -3.718306850e+00 -3.718306850e+00 2.70 -3.658434355e+00 -3.658434355e+00 2.72 -3.596237841e+00 -3.596237841e+00 2.74 -3.532263777e+00 -3.532263777e+00 2.76 -3.467020483e+00 -3.467020483e+00 2.78 -3.401002694e+00 -3.401002694e+00 2.80 -3.334727945e+00 -3.334727945e+00 2.82 -3.268672604e+00 -3.268672604e+00 2.84 -3.203172428e+00 -3.203172428e+00 2.86 -3.138540091e+00 -3.138540091e+00 2.88 -3.075054881e+00 -3.075054881e+00 2.90 -3.012952725e+00 -3.012952725e+00 2.92 -2.952303200e+00 -2.952303200e+00 2.94 -2.893081090e+00 -2.893081090e+00 2.96 -2.835238040e+00 -2.835238040e+00 2.98 -2.778643296e+00 -2.778643296e+00 3.00 -2.723115054e+00 -2.723115054e+00 3.02 -2.668510554e+00 -2.668510554e+00 3.04 -2.614689967e+00 -2.614689967e+00 3.06 -2.561507299e+00 -2.561507299e+00 3.08 -2.508807385e+00 -2.508807385e+00 3.10 -2.456428158e+00 -2.456428158e+00 3.12 -2.404198831e+00 -2.404198831e+00 3.14 -2.351937996e+00 -2.351937996e+00 3.16 -2.299452479e+00 -2.299452479e+00 3.18 -2.246594519e+00 -2.246594519e+00 3.20 -2.193380694e+00 -2.193380694e+00 3.22 -2.139868966e+00 -2.139868966e+00 3.24 -2.086164875e+00 -2.086164875e+00 3.26 -2.032486264e+00 -2.032486264e+00 3.28 -1.979192217e+00 -1.979192217e+00 3.30 -1.926770157e+00 -1.926770157e+00 3.32 -1.875704683e+00 -1.875704683e+00 3.34 -1.826399797e+00 -1.826399797e+00 3.36 -1.779045918e+00 -1.779045918e+00 3.38 -1.733571523e+00 -1.733571523e+00 3.40 -1.689746152e+00 -1.689746152e+00 3.42 -1.647315874e+00 -1.647315874e+00 3.44 -1.606097419e+00 -1.606097419e+00 3.46 -1.565944503e+00 -1.565944503e+00 3.48 -1.526726026e+00 -1.526726026e+00 3.50 -1.488341937e+00 -1.488341937e+00 3.52 -1.450693124e+00 -1.450693124e+00 3.54 -1.413675725e+00 -1.413675725e+00 3.56 -1.377180180e+00 -1.377180180e+00 3.58 -1.341090175e+00 -1.341090175e+00 3.60 -1.305284513e+00 -1.305284513e+00 3.62 -1.269675946e+00 -1.269675946e+00 3.64 -1.234200328e+00 -1.234200328e+00 3.66 -1.198786608e+00 -1.198786608e+00 3.68 -1.163360058e+00 -1.163360058e+00 3.70 -1.127851167e+00 -1.127851167e+00 3.72 -1.092212509e+00 -1.092212509e+00 3.74 -1.056453205e+00 -1.056453205e+00 3.76 -1.020672332e+00 -1.020672332e+00 3.78 -9.850727331e-01 -9.850727331e-01 3.80 -9.499650784e-01 -9.499650784e-01 3.82 -9.157319498e-01 -9.157319498e-01 3.84 -8.827472409e-01 -8.827472409e-01 3.86 -8.512781641e-01 -8.512781641e-01 3.88 -8.214191831e-01 -8.214191831e-01 3.90 -7.930925406e-01 -7.930925406e-01 3.92 -7.661022450e-01 -7.661022450e-01 3.94 -7.402228399e-01 -7.402228399e-01 3.96 -7.152767840e-01 -7.152767840e-01 3.98 -6.911467851e-01 -6.911467851e-01 4.00 -6.677824210e-01 -6.677824210e-01 4.02 -6.451968576e-01 -6.451968576e-01 4.04 -6.234366867e-01 -6.234366867e-01 4.06 -6.025502203e-01 -6.025502203e-01 4.08 -5.825791648e-01 -5.825791648e-01 4.10 -5.635476806e-01 -5.635476806e-01 4.12 -5.454449779e-01 -5.454449779e-01 4.14 -5.282461182e-01 -5.282461182e-01 4.16 -5.119237761e-01 -5.119237761e-01 4.18 -4.964546740e-01 -4.964546740e-01 4.20 -4.818156922e-01 -4.818156922e-01 4.22 -4.679816644e-01 -4.679816644e-01 4.24 -4.549224720e-01 -4.549224720e-01 4.26 -4.426124611e-01 -4.426124611e-01 4.28 -4.310259570e-01 -4.310259570e-01 4.30 -4.201400691e-01 -4.201400691e-01 4.32 -4.099324696e-01 -4.099324696e-01 4.34 -4.003765500e-01 -4.003765500e-01 4.36 -3.913837935e-01 -3.913837935e-01 4.38 -3.829230194e-01 -3.829230194e-01 4.40 -3.750060463e-01 -3.750060463e-01 4.42 -3.676118632e-01 -3.676118632e-01 4.44 -3.606914281e-01 -3.606914281e-01 4.46 -3.541827234e-01 -3.541827234e-01 4.48 -3.480278053e-01 -3.480278053e-01 4.50 -3.421866980e-01 -3.421866980e-01 4.52 -3.366741730e-01 -3.366741730e-01 4.54 -3.314454834e-01 -3.314454834e-01 4.56 -3.263526039e-01 -3.263526039e-01 4.58 -3.212049446e-01 -3.212049446e-01 4.60 -3.158678507e-01 -3.158678507e-01 4.62 -3.101903224e-01 -3.101903224e-01 4.64 -3.041564499e-01 -3.041564499e-01 4.66 -2.979002852e-01 -2.979002852e-01 4.68 -2.916383175e-01 -2.916383175e-01 4.70 -2.856411149e-01 -2.856411149e-01 4.72 -2.801506498e-01 -2.801506498e-01 4.74 -2.752945755e-01 -2.752945755e-01 4.76 -2.711955483e-01 -2.711955483e-01 4.78 -2.677507752e-01 -2.677507752e-01 4.80 -2.646467729e-01 -2.646467729e-01 4.82 -2.616247206e-01 -2.616247206e-01 4.84 -2.584944665e-01 -2.584944665e-01 4.86 -2.551321585e-01 -2.551321585e-01 4.88 -2.514598453e-01 -2.514598453e-01 4.90 -2.474322242e-01 -2.474322242e-01 4.92 -2.430347551e-01 -2.430347551e-01 4.94 -2.382616560e-01 -2.382616560e-01 4.96 -2.331124983e-01 -2.331124983e-01 4.98 -2.275902812e-01 -2.275902812e-01 5.00 -2.216996724e-01 -2.216996724e-01 5.02 -2.154453477e-01 -2.154453477e-01 5.04 -2.088303652e-01 -2.088303652e-01 5.06 -2.018243872e-01 -2.018243872e-01 5.08 -1.944348680e-01 -1.944348680e-01 5.10 -1.867068145e-01 -1.867068145e-01 5.12 -1.786686126e-01 -1.786686126e-01 5.14 -1.703325313e-01 -1.703325313e-01 5.16 -1.616950391e-01 -1.616950391e-01 5.18 -1.527371803e-01 -1.527371803e-01 5.20 -1.434254473e-01 -1.434254473e-01 5.22 -1.337139064e-01 -1.337139064e-01 5.24 -1.235487962e-01 -1.235487962e-01 5.26 -1.128774171e-01 -1.128774171e-01 5.28 -1.016636508e-01 -1.016636508e-01 5.30 -8.991233401e-02 -8.991233401e-02 5.32 -7.770279430e-02 -7.770279430e-02 5.34 -6.522658761e-02 -6.522658761e-02 5.36 -5.281513135e-02 -5.281513135e-02 5.38 -4.092988208e-02 -4.092988208e-02 5.40 -3.010199442e-02 -3.010199442e-02 5.42 -2.082273524e-02 -2.082273524e-02 5.44 -1.341543519e-02 -1.341543519e-02 5.46 -7.954129570e-03 -7.954129570e-03 5.48 -4.267655663e-03 -4.267655663e-03 5.50 -2.017298244e-03 -2.017298244e-03 5.52 -8.015908133e-04 -8.015908133e-04 5.54 -2.443617044e-04 -2.443617044e-04 5.56 -4.632049150e-05 -4.632049150e-05 5.58 -2.773089428e-06 -2.773089428e-06 5.60 -1.568354399e-11 -1.565559834e-11 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