# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AlCo2Pt # 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 2024-04-11 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 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 1.746236669e+02 1.746236669e+02 1.30 1.617461215e+02 1.617461215e+02 1.32 1.497678060e+02 1.497678060e+02 1.34 1.386269046e+02 1.386269046e+02 1.36 1.282665566e+02 1.282665566e+02 1.38 1.186287845e+02 1.186287845e+02 1.40 1.096543509e+02 1.096543509e+02 1.42 1.012870108e+02 1.012870108e+02 1.44 9.347799797e+01 9.347799797e+01 1.46 8.618774159e+01 8.618774159e+01 1.48 7.938385798e+01 7.938385798e+01 1.50 7.303704436e+01 7.303704436e+01 1.52 6.711789086e+01 6.711789086e+01 1.54 6.159600115e+01 6.159600115e+01 1.56 5.644071315e+01 5.644071315e+01 1.58 5.162224100e+01 5.162224100e+01 1.60 4.711253196e+01 4.711253196e+01 1.62 4.288576980e+01 4.288576980e+01 1.64 3.891878747e+01 3.891878747e+01 1.66 3.519273913e+01 3.519273913e+01 1.68 3.173510970e+01 3.173510970e+01 1.70 2.855368316e+01 2.855368316e+01 1.72 2.563015112e+01 2.563015112e+01 1.74 2.294627384e+01 2.294627384e+01 1.76 2.048429354e+01 2.048429354e+01 1.78 1.822656572e+01 1.822656572e+01 1.80 1.615585129e+01 1.615585129e+01 1.82 1.425598490e+01 1.425598490e+01 1.84 1.251239363e+01 1.251239363e+01 1.86 1.091224476e+01 1.091224476e+01 1.88 9.444296745e+00 9.444296745e+00 1.90 8.098606863e+00 8.098606863e+00 1.92 6.866202516e+00 6.866202516e+00 1.94 5.738775707e+00 5.738775707e+00 1.96 4.708444096e+00 4.708444096e+00 1.98 3.767617653e+00 3.767617653e+00 2.00 2.908990545e+00 2.908990545e+00 2.02 2.125638341e+00 2.125638341e+00 2.04 1.411154471e+00 1.411154471e+00 2.06 7.597429743e-01 7.597429743e-01 2.08 1.662195613e-01 1.662195613e-01 2.10 -3.740676432e-01 -3.740676432e-01 2.12 -8.653485475e-01 -8.653485475e-01 2.14 -1.311523293e+00 -1.311523293e+00 2.16 -1.716209638e+00 -1.716209638e+00 2.18 -2.082747156e+00 -2.082747156e+00 2.20 -2.414179466e+00 -2.414179466e+00 2.22 -2.713239524e+00 -2.713239524e+00 2.24 -2.982352900e+00 -2.982352900e+00 2.26 -3.223660167e+00 -3.223660167e+00 2.28 -3.439051294e+00 -3.439051294e+00 2.30 -3.630204049e+00 -3.630204049e+00 2.32 -3.798621625e+00 -3.798621625e+00 2.34 -3.945667609e+00 -3.945667609e+00 2.36 -4.072598686e+00 -4.072598686e+00 2.38 -4.180745609e+00 -4.180745609e+00 2.40 -4.272455486e+00 -4.272455486e+00 2.42 -4.348780185e+00 -4.348780185e+00 2.44 -4.410492147e+00 -4.410492147e+00 2.46 -4.458453961e+00 -4.458453961e+00 2.48 -4.493627242e+00 -4.493627242e+00 2.50 -4.517074130e+00 -4.517074130e+00 2.52 -4.529953399e+00 -4.529953399e+00 2.54 -4.533574583e+00 -4.533574583e+00 2.56 -4.529140350e+00 -4.529140350e+00 2.58 -4.517800450e+00 -4.517800450e+00 2.60 -4.500658819e+00 -4.500658819e+00 2.62 -4.478715269e+00 -4.478715269e+00 2.64 -4.452814304e+00 -4.452814304e+00 2.66 -4.423611935e+00 -4.423611935e+00 2.68 -4.391618847e+00 -4.391618847e+00 2.70 -4.357691047e+00 -4.357691047e+00 2.72 -4.321800207e+00 -4.321800207e+00 2.74 -4.283651656e+00 -4.283651656e+00 2.76 -4.242976787e+00 -4.242976787e+00 2.78 -4.199545482e+00 -4.199545482e+00 2.80 -4.153173448e+00 -4.153173448e+00 2.82 -4.103725729e+00 -4.103725729e+00 2.84 -4.051118830e+00 -4.051118830e+00 2.86 -3.995327001e+00 -3.995327001e+00 2.88 -3.936395581e+00 -3.936395581e+00 2.90 -3.874437012e+00 -3.874437012e+00 2.92 -3.809635492e+00 -3.809635492e+00 2.94 -3.742253315e+00 -3.742253315e+00 2.96 -3.672631614e+00 -3.672631614e+00 2.98 -3.601182713e+00 -3.601182713e+00 3.00 -3.528372917e+00 -3.528372917e+00 3.02 -3.454696978e+00 -3.454696978e+00 3.04 -3.380647622e+00 -3.380647622e+00 3.06 -3.306684849e+00 -3.306684849e+00 3.08 -3.233209440e+00 -3.233209440e+00 3.10 -3.160544508e+00 -3.160544508e+00 3.12 -3.088926829e+00 -3.088926829e+00 3.14 -3.018508093e+00 -3.018508093e+00 3.16 -2.949373714e+00 -2.949373714e+00 3.18 -2.881602012e+00 -2.881602012e+00 3.20 -2.815228752e+00 -2.815228752e+00 3.22 -2.750241375e+00 -2.750241375e+00 3.24 -2.686598399e+00 -2.686598399e+00 3.26 -2.624244144e+00 -2.624244144e+00 3.28 -2.563119040e+00 -2.563119040e+00 3.30 -2.503166285e+00 -2.503166285e+00 3.32 -2.444335702e+00 -2.444335702e+00 3.34 -2.386585606e+00 -2.386585606e+00 3.36 -2.329883351e+00 -2.329883351e+00 3.38 -2.274205011e+00 -2.274205011e+00 3.40 -2.219534546e+00 -2.219534546e+00 3.42 -2.165862665e+00 -2.165862665e+00 3.44 -2.113185481e+00 -2.113185481e+00 3.46 -2.061503077e+00 -2.061503077e+00 3.48 -2.010818020e+00 -2.010818020e+00 3.50 -1.961133870e+00 -1.961133870e+00 3.52 -1.912453755e+00 -1.912453755e+00 3.54 -1.864779050e+00 -1.864779050e+00 3.56 -1.818108240e+00 -1.818108240e+00 3.58 -1.772436001e+00 -1.772436001e+00 3.60 -1.727752566e+00 -1.727752566e+00 3.62 -1.684043391e+00 -1.684043391e+00 3.64 -1.641289152e+00 -1.641289152e+00 3.66 -1.599466048e+00 -1.599466048e+00 3.68 -1.558546397e+00 -1.558546397e+00 3.70 -1.518499442e+00 -1.518499442e+00 3.72 -1.479292304e+00 -1.479292304e+00 3.74 -1.440890959e+00 -1.440890959e+00 3.76 -1.403261156e+00 -1.403261156e+00 3.78 -1.366369167e+00 -1.366369167e+00 3.80 -1.330182325e+00 -1.330182325e+00 3.82 -1.294669310e+00 -1.294669310e+00 3.84 -1.259800206e+00 -1.259800206e+00 3.86 -1.225546368e+00 -1.225546368e+00 3.88 -1.191880182e+00 -1.191880182e+00 3.90 -1.158774787e+00 -1.158774787e+00 3.92 -1.126203852e+00 -1.126203852e+00 3.94 -1.094141503e+00 -1.094141503e+00 3.96 -1.062562412e+00 -1.062562412e+00 3.98 -1.031442169e+00 -1.031442169e+00 4.00 -1.000757907e+00 -1.000757907e+00 4.02 -9.704892308e-01 -9.704892308e-01 4.04 -9.406193992e-01 -9.406193992e-01 4.06 -9.111367218e-01 -9.111367218e-01 4.08 -8.820360699e-01 -8.820360699e-01 4.10 -8.533203428e-01 -8.533203428e-01 4.12 -8.250017766e-01 -8.250017766e-01 4.14 -7.971027129e-01 -7.971027129e-01 4.16 -7.696558541e-01 -7.696558541e-01 4.18 -7.427036537e-01 -7.427036537e-01 4.20 -7.162968181e-01 -7.162968181e-01 4.22 -6.904919197e-01 -6.904919197e-01 4.24 -6.653482508e-01 -6.653482508e-01 4.26 -6.409241610e-01 -6.409241610e-01 4.28 -6.172732057e-01 -6.172732057e-01 4.30 -5.944404697e-01 -5.944404697e-01 4.32 -5.724594177e-01 -5.724594177e-01 4.34 -5.513495645e-01 -5.513495645e-01 4.36 -5.311151551e-01 -5.311151551e-01 4.38 -5.117449230e-01 -5.117449230e-01 4.40 -4.932128636e-01 -4.932128636e-01 4.42 -4.754798499e-01 -4.754798499e-01 4.44 -4.584958391e-01 -4.584958391e-01 4.46 -4.422023935e-01 -4.422023935e-01 4.48 -4.265352547e-01 -4.265352547e-01 4.50 -4.114267669e-01 -4.114267669e-01 4.52 -3.968080157e-01 -3.968080157e-01 4.54 -3.826106235e-01 -3.826106235e-01 4.56 -3.687682062e-01 -3.687682062e-01 4.58 -3.552175373e-01 -3.552175373e-01 4.60 -3.418994913e-01 -3.418994913e-01 4.62 -3.287598459e-01 -3.287598459e-01 4.64 -3.157500115e-01 -3.157500115e-01 4.66 -3.028277436e-01 -3.028277436e-01 4.68 -2.899578672e-01 -2.899578672e-01 4.70 -2.771130162e-01 -2.771130162e-01 4.72 -2.642743650e-01 -2.642743650e-01 4.74 -2.514323002e-01 -2.514323002e-01 4.76 -2.385869647e-01 -2.385869647e-01 4.78 -2.257485917e-01 -2.257485917e-01 4.80 -2.129375378e-01 -2.129375378e-01 4.82 -2.001839814e-01 -2.001839814e-01 4.84 -1.875271404e-01 -1.875271404e-01 4.86 -1.750141217e-01 -1.750141217e-01 4.88 -1.626983239e-01 -1.626983239e-01 4.90 -1.506374946e-01 -1.506374946e-01 4.92 -1.388915228e-01 -1.388915228e-01 4.94 -1.275200889e-01 -1.275200889e-01 4.96 -1.165803043e-01 -1.165803043e-01 4.98 -1.061244779e-01 -1.061244779e-01 5.00 -9.619815176e-02 -9.619815176e-02 5.02 -8.683850238e-02 -8.683850238e-02 5.04 -7.807320617e-02 -7.807320617e-02 5.06 -6.991981844e-02 -6.991981844e-02 5.08 -6.238579612e-02 -6.238579612e-02 5.10 -5.546897679e-02 -5.546897679e-02 5.12 -4.915758435e-02 -4.915758435e-02 5.14 -4.343205391e-02 -4.343205391e-02 5.16 -3.826641205e-02 -3.826641205e-02 5.18 -3.362970213e-02 -3.362970213e-02 5.20 -2.948741580e-02 -2.948741580e-02 5.22 -2.580284719e-02 -2.580284719e-02 5.24 -2.253830780e-02 -2.253830780e-02 5.26 -1.965616193e-02 -1.965616193e-02 5.28 -1.711966997e-02 -1.711966997e-02 5.30 -1.489363475e-02 -1.489363475e-02 5.32 -1.294482133e-02 -1.294482133e-02 5.34 -1.124206475e-02 -1.124206475e-02 5.36 -9.757137294e-03 -9.757137294e-03 5.38 -8.464328298e-03 -8.464328298e-03 5.40 -7.340342433e-03 -7.340342433e-03 5.42 -6.364247109e-03 -6.364247109e-03 5.44 -5.517363173e-03 -5.517363173e-03 5.46 -4.783119518e-03 -4.783119518e-03 5.48 -4.146887396e-03 -4.146887396e-03 5.50 -3.595806202e-03 -3.595806202e-03 5.52 -3.118609144e-03 -3.118609144e-03 5.54 -2.705454588e-03 -2.705454588e-03 5.56 -2.347766813e-03 -2.347766813e-03 5.58 -2.038088389e-03 -2.038088389e-03 5.60 -1.769945260e-03 -1.769945260e-03 5.62 -1.537724804e-03 -1.537724804e-03 5.64 -1.336566636e-03 -1.336566636e-03 5.66 -1.162265513e-03 -1.162265513e-03 5.68 -1.011185529e-03 -1.011185529e-03 5.70 -8.801846566e-04 -8.801846566e-04 5.72 -7.665486641e-04 -7.665486641e-04 5.74 -6.679334280e-04 -6.679334280e-04 5.76 -5.823147238e-04 -5.823147238e-04 5.78 -5.079446225e-04 -5.079446225e-04 5.80 -4.433136956e-04 -4.433136956e-04 5.82 -3.871183070e-04 -3.871183070e-04 5.84 -3.382323412e-04 -3.382323412e-04 5.86 -2.956827914e-04 -2.956827914e-04 5.88 -2.586286967e-04 -2.586286967e-04 5.90 -2.263429800e-04 -2.263429800e-04 5.92 -1.981967947e-04 -1.981967947e-04 5.94 -1.736460366e-04 -1.736460366e-04 5.96 -1.522197243e-04 -1.522197243e-04 5.98 -1.335099904e-04 -1.335099904e-04 6.00 -1.171634598e-04 -1.171634598e-04