# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuPd2 # 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 2026-08-31 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 3.013508298e+06 3.013508298e+06 0.88 2.754191114e+06 2.754191114e+06 0.90 2.517676316e+06 2.517676316e+06 0.92 2.301544233e+06 2.301544233e+06 0.94 2.103675172e+06 2.103675172e+06 0.96 1.922189090e+06 1.922189090e+06 0.98 1.755441749e+06 1.755441749e+06 1.00 1.601987441e+06 1.601987441e+06 1.02 1.460559832e+06 1.460559832e+06 1.04 1.330011426e+06 1.330011426e+06 1.06 1.209327854e+06 1.209327854e+06 1.08 1.097614815e+06 1.097614815e+06 1.10 9.940557039e+05 9.940557039e+05 1.12 8.979458098e+05 8.979458098e+05 1.14 8.086559918e+05 8.086559918e+05 1.16 7.256020844e+05 7.256020844e+05 1.18 6.482606468e+05 6.482606468e+05 1.20 5.761719895e+05 5.761719895e+05 1.22 5.089071577e+05 5.089071577e+05 1.24 4.460600005e+05 4.460600005e+05 1.26 3.872903446e+05 3.872903446e+05 1.28 3.322905565e+05 3.322905565e+05 1.30 2.807816177e+05 2.807816177e+05 1.32 2.324957735e+05 2.324957735e+05 1.34 1.882986822e+05 1.882986822e+05 1.36 1.507041917e+05 1.507041917e+05 1.38 1.205749247e+05 1.205749247e+05 1.40 9.659631138e+04 9.659631138e+04 1.42 7.748360317e+04 7.748360317e+04 1.44 6.222413047e+04 6.222413047e+04 1.46 5.002227000e+04 5.002227000e+04 1.48 4.025197707e+04 4.025197707e+04 1.50 3.241860042e+04 3.241860042e+04 1.52 2.613133277e+04 2.613133277e+04 1.54 2.107983225e+04 2.107983225e+04 1.56 1.701683777e+04 1.701683777e+04 1.58 1.374530110e+04 1.374530110e+04 1.60 1.110755334e+04 1.110755334e+04 1.62 8.979321825e+03 8.979321825e+03 1.64 7.261149933e+03 7.261149933e+03 1.66 5.873137011e+03 5.873137011e+03 1.68 4.751260314e+03 4.751260314e+03 1.70 3.844133077e+03 3.844133077e+03 1.72 3.110421176e+03 3.110421176e+03 1.74 2.516800952e+03 2.516800952e+03 1.76 2.036395782e+03 2.036395782e+03 1.78 1.647497663e+03 1.647497663e+03 1.80 1.332550027e+03 1.332550027e+03 1.82 1.077366377e+03 1.077366377e+03 1.84 8.706268350e+02 8.706268350e+02 1.86 7.031669643e+02 7.031669643e+02 1.88 5.675558914e+02 5.675558914e+02 1.90 4.577643359e+02 4.577643359e+02 1.92 3.688995442e+02 3.688995442e+02 1.94 2.969946790e+02 2.969946790e+02 1.96 2.388221386e+02 2.388221386e+02 1.98 1.917821482e+02 1.917821482e+02 2.00 1.537635444e+02 1.537635444e+02 2.02 1.230486669e+02 1.230486669e+02 2.04 9.825005214e+01 9.825005214e+01 2.06 7.824186037e+01 7.824186037e+01 2.08 6.210991729e+01 6.210991729e+01 2.10 4.911166823e+01 4.911166823e+01 2.12 3.864551668e+01 3.864551668e+01 2.14 3.022319150e+01 3.022319150e+01 2.16 2.344624248e+01 2.344624248e+01 2.18 1.799651205e+01 1.799651205e+01 2.20 1.361668463e+01 1.361668463e+01 2.22 1.009882709e+01 1.009882709e+01 2.24 7.275248465e+00 7.275248465e+00 2.26 5.010265600e+00 5.010265600e+00 2.28 3.194277057e+00 3.194277057e+00 2.30 1.738853248e+00 1.738853248e+00 2.32 5.727373381e-01 5.727373381e-01 2.34 -3.613959446e-01 -3.613959446e-01 2.36 -1.109585450e+00 -1.109585450e+00 2.38 -1.708754966e+00 -1.708754966e+00 2.40 -2.188466965e+00 -2.188466965e+00 2.42 -2.572349464e+00 -2.572349464e+00 2.44 -2.879255303e+00 -2.879255303e+00 2.46 -3.124211568e+00 -3.124211568e+00 2.48 -3.319159968e+00 -3.319159968e+00 2.50 -3.473582486e+00 -3.473582486e+00 2.52 -3.595010648e+00 -3.595010648e+00 2.54 -3.689400235e+00 -3.689400235e+00 2.56 -3.761475351e+00 -3.761475351e+00 2.58 -3.814987856e+00 -3.814987856e+00 2.60 -3.852922439e+00 -3.852922439e+00 2.62 -3.877624785e+00 -3.877624785e+00 2.64 -3.890959754e+00 -3.890959754e+00 2.66 -3.894462682e+00 -3.894462682e+00 2.68 -3.889381811e+00 -3.889381811e+00 2.70 -3.876718784e+00 -3.876718784e+00 2.72 -3.857302055e+00 -3.857302055e+00 2.74 -3.831850896e+00 -3.831850896e+00 2.76 -3.800982599e+00 -3.800982599e+00 2.78 -3.765236015e+00 -3.765236015e+00 2.80 -3.725089439e+00 -3.725089439e+00 2.82 -3.680906471e+00 -3.680906471e+00 2.84 -3.633008770e+00 -3.633008770e+00 2.86 -3.581750785e+00 -3.581750785e+00 2.88 -3.527467553e+00 -3.527467553e+00 2.90 -3.470474039e+00 -3.470474039e+00 2.92 -3.411068064e+00 -3.411068064e+00 2.94 -3.349532381e+00 -3.349532381e+00 2.96 -3.286105964e+00 -3.286105964e+00 2.98 -3.221013769e+00 -3.221013769e+00 3.00 -3.154499938e+00 -3.154499938e+00 3.02 -3.086797226e+00 -3.086797226e+00 3.04 -3.018127236e+00 -3.018127236e+00 3.06 -2.948693882e+00 -2.948693882e+00 3.08 -2.878659063e+00 -2.878659063e+00 3.10 -2.808204402e+00 -2.808204402e+00 3.12 -2.737506431e+00 -2.737506431e+00 3.14 -2.666731041e+00 -2.666731041e+00 3.16 -2.596033619e+00 -2.596033619e+00 3.18 -2.525559214e+00 -2.525559214e+00 3.20 -2.455442728e+00 -2.455442728e+00 3.22 -2.385809143e+00 -2.385809143e+00 3.24 -2.316773764e+00 -2.316773764e+00 3.26 -2.248442505e+00 -2.248442505e+00 3.28 -2.180912187e+00 -2.180912187e+00 3.30 -2.114231535e+00 -2.114231535e+00 3.32 -2.048420750e+00 -2.048420750e+00 3.34 -1.983552813e+00 -1.983552813e+00 3.36 -1.919693826e+00 -1.919693826e+00 3.38 -1.856902680e+00 -1.856902680e+00 3.40 -1.795231409e+00 -1.795231409e+00 3.42 -1.734725553e+00 -1.734725553e+00 3.44 -1.675424510e+00 -1.675424510e+00 3.46 -1.617354162e+00 -1.617354162e+00 3.48 -1.560512891e+00 -1.560512891e+00 3.50 -1.504921103e+00 -1.504921103e+00 3.52 -1.450597551e+00 -1.450597551e+00 3.54 -1.397556678e+00 -1.397556678e+00 3.56 -1.345808915e+00 -1.345808915e+00 3.58 -1.295360977e+00 -1.295360977e+00 3.60 -1.246216148e+00 -1.246216148e+00 3.62 -1.198374551e+00 -1.198374551e+00 3.64 -1.151833406e+00 -1.151833406e+00 3.66 -1.106587283e+00 -1.106587283e+00 3.68 -1.062628328e+00 -1.062628328e+00 3.70 -1.019946494e+00 -1.019946494e+00 3.72 -9.785297492e-01 -9.785297492e-01 3.74 -9.383642764e-01 -9.383642764e-01 3.76 -8.994346592e-01 -8.994346592e-01 3.78 -8.617240597e-01 -8.617240597e-01 3.80 -8.252143825e-01 -8.252143825e-01 3.82 -7.898864289e-01 -7.898864289e-01 3.84 -7.557200412e-01 -7.557200412e-01 3.86 -7.226942362e-01 -7.226942362e-01 3.88 -6.907873295e-01 -6.907873295e-01 3.90 -6.599770512e-01 -6.599770512e-01 3.92 -6.302406520e-01 -6.302406520e-01 3.94 -6.015550014e-01 -6.015550014e-01 3.96 -5.738966788e-01 -5.738966788e-01 3.98 -5.472420558e-01 -5.472420558e-01 4.00 -5.215673725e-01 -5.215673725e-01 4.02 -4.968488073e-01 -4.968488073e-01 4.04 -4.730625395e-01 -4.730625395e-01 4.06 -4.501848071e-01 -4.501848071e-01 4.08 -4.281919585e-01 -4.281919585e-01 4.10 -4.070604994e-01 -4.070604994e-01 4.12 -3.867671350e-01 -3.867671350e-01 4.14 -3.672888073e-01 -3.672888073e-01 4.16 -3.486027287e-01 -3.486027287e-01 4.18 -3.306864116e-01 -3.306864116e-01 4.20 -3.135176943e-01 -3.135176943e-01 4.22 -2.970747638e-01 -2.970747638e-01 4.24 -2.813361758e-01 -2.813361758e-01 4.26 -2.662808708e-01 -2.662808708e-01 4.28 -2.518881890e-01 -2.518881890e-01 4.30 -2.381378819e-01 -2.381378819e-01 4.32 -2.250080255e-01 -2.250080255e-01 4.34 -2.124558710e-01 -2.124558710e-01 4.36 -2.004567751e-01 -2.004567751e-01 4.38 -1.889932333e-01 -1.889932333e-01 4.40 -1.780481651e-01 -1.780481651e-01 4.42 -1.676049138e-01 -1.676049138e-01 4.44 -1.576472458e-01 -1.576472458e-01 4.46 -1.481593487e-01 -1.481593487e-01 4.48 -1.391258289e-01 -1.391258289e-01 4.50 -1.305317076e-01 -1.305317076e-01 4.52 -1.223624170e-01 -1.223624170e-01 4.54 -1.146037953e-01 -1.146037953e-01 4.56 -1.072420815e-01 -1.072420815e-01 4.58 -1.002639096e-01 -1.002639096e-01 4.60 -9.365630187e-02 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-1.366038085e-06 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