# 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 = Au2CuNi # 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 4.476205350e+06 4.476205350e+06 0.88 4.074050429e+06 4.074050429e+06 0.90 3.707368495e+06 3.707368495e+06 0.92 3.372417292e+06 3.372417292e+06 0.94 3.065886818e+06 3.065886818e+06 0.96 2.784878693e+06 2.784878693e+06 0.98 2.526794701e+06 2.526794701e+06 1.00 2.289380227e+06 2.289380227e+06 1.02 2.070634509e+06 2.070634509e+06 1.04 1.868811167e+06 1.868811167e+06 1.06 1.682348863e+06 1.682348863e+06 1.08 1.509847313e+06 1.509847313e+06 1.10 1.350047099e+06 1.350047099e+06 1.12 1.201840012e+06 1.201840012e+06 1.14 1.064220719e+06 1.064220719e+06 1.16 9.362644352e+05 9.362644352e+05 1.18 8.171652499e+05 8.171652499e+05 1.20 7.061948398e+05 7.061948398e+05 1.22 6.026831854e+05 6.026831854e+05 1.24 5.060359585e+05 5.060359585e+05 1.26 4.157297620e+05 4.157297620e+05 1.28 3.326580483e+05 3.326580483e+05 1.30 2.635362475e+05 2.635362475e+05 1.32 2.089049991e+05 2.089049991e+05 1.34 1.658493745e+05 1.658493745e+05 1.36 1.318559996e+05 1.318559996e+05 1.38 1.049692787e+05 1.049692787e+05 1.40 8.366566338e+04 8.366566338e+04 1.42 6.676131521e+04 6.676131521e+04 1.44 5.332815367e+04 5.332815367e+04 1.46 4.263825965e+04 4.263825965e+04 1.48 3.411983665e+04 3.411983665e+04 1.50 2.732312009e+04 2.732312009e+04 1.52 2.189413905e+04 2.189413905e+04 1.54 1.755389158e+04 1.755389158e+04 1.56 1.408098187e+04 1.408098187e+04 1.58 1.129989607e+04 1.129989607e+04 1.60 9.071422149e+03 9.071422149e+03 1.62 7.284728955e+03 7.284728955e+03 1.64 5.851300952e+03 5.851300952e+03 1.66 4.700490018e+03 4.700490018e+03 1.68 3.775870752e+03 3.775870752e+03 1.70 3.032737805e+03 3.032737805e+03 1.72 2.435398995e+03 2.435398995e+03 1.74 1.955157098e+03 1.955157098e+03 1.76 1.569028043e+03 1.569028043e+03 1.78 1.258573159e+03 1.258573159e+03 1.80 1.008980133e+03 1.008980133e+03 1.82 8.083683756e+02 8.083683756e+02 1.84 6.471755027e+02 6.471755027e+02 1.86 5.177031733e+02 5.177031733e+02 1.88 4.137520072e+02 4.137520072e+02 1.90 3.303015324e+02 3.303015324e+02 1.92 2.633342576e+02 2.633342576e+02 1.94 2.096267023e+02 2.096267023e+02 1.96 1.665703373e+02 1.665703373e+02 1.98 1.320810764e+02 1.320810764e+02 2.00 1.044754450e+02 1.044754450e+02 2.02 8.239504785e+01 8.239504785e+01 2.04 6.475233406e+01 6.475233406e+01 2.06 5.067087858e+01 5.067087858e+01 2.08 3.944417583e+01 3.944417583e+01 2.10 3.050317322e+01 3.050317322e+01 2.12 2.338973169e+01 2.338973169e+01 2.14 1.773571620e+01 1.773571620e+01 2.16 1.324576658e+01 1.324576658e+01 2.18 9.682829639e+00 9.682829639e+00 2.20 6.856840316e+00 6.856840316e+00 2.22 4.616074208e+00 4.616074208e+00 2.24 2.839747541e+00 2.839747541e+00 2.26 1.431223897e+00 1.431223897e+00 2.28 3.138834395e-01 3.138834395e-01 2.30 -5.730267255e-01 -5.730267255e-01 2.32 -1.277753579e+00 -1.277753579e+00 2.34 -1.838520305e+00 -1.838520305e+00 2.36 -2.285532249e+00 -2.285532249e+00 2.38 -2.642595899e+00 -2.642595899e+00 2.40 -2.928423618e+00 -2.928423618e+00 2.42 -3.157683384e+00 -3.157683384e+00 2.44 -3.341837634e+00 -3.341837634e+00 2.46 -3.489812463e+00 -3.489812463e+00 2.48 -3.608553464e+00 -3.608553464e+00 2.50 -3.703451776e+00 -3.703451776e+00 2.52 -3.778668348e+00 -3.778668348e+00 2.54 -3.837444789e+00 -3.837444789e+00 2.56 -3.882283167e+00 -3.882283167e+00 2.58 -3.915138924e+00 -3.915138924e+00 2.60 -3.937549422e+00 -3.937549422e+00 2.62 -3.950703996e+00 -3.950703996e+00 2.64 -3.955538683e+00 -3.955538683e+00 2.66 -3.952836730e+00 -3.952836730e+00 2.68 -3.943248608e+00 -3.943248608e+00 2.70 -3.927327473e+00 -3.927327473e+00 2.72 -3.905555921e+00 -3.905555921e+00 2.74 -3.878365895e+00 -3.878365895e+00 2.76 -3.846153250e+00 -3.846153250e+00 2.78 -3.809288210e+00 -3.809288210e+00 2.80 -3.768122659e+00 -3.768122659e+00 2.82 -3.722993850e+00 -3.722993850e+00 2.84 -3.674202620e+00 -3.674202620e+00 2.86 -3.622055042e+00 -3.622055042e+00 2.88 -3.566860382e+00 -3.566860382e+00 2.90 -3.508920805e+00 -3.508920805e+00 2.92 -3.448531170e+00 -3.448531170e+00 2.94 -3.385978549e+00 -3.385978549e+00 2.96 -3.321480415e+00 -3.321480415e+00 2.98 -3.255236394e+00 -3.255236394e+00 3.00 -3.187474597e+00 -3.187474597e+00 3.02 -3.118435455e+00 -3.118435455e+00 3.04 -3.048353166e+00 -3.048353166e+00 3.06 -2.977443140e+00 -2.977443140e+00 3.08 -2.905874228e+00 -2.905874228e+00 3.10 -2.833838747e+00 -2.833838747e+00 3.12 -2.761523946e+00 -2.761523946e+00 3.14 -2.689105570e+00 -2.689105570e+00 3.16 -2.616747936e+00 -2.616747936e+00 3.18 -2.544604087e+00 -2.544604087e+00 3.20 -2.472815988e+00 -2.472815988e+00 3.22 -2.401514777e+00 -2.401514777e+00 3.24 -2.330821063e+00 -2.330821063e+00 3.26 -2.260845256e+00 -2.260845256e+00 3.28 -2.191687923e+00 -2.191687923e+00 3.30 -2.123440181e+00 -2.123440181e+00 3.32 -2.056184096e+00 -2.056184096e+00 3.34 -1.989993100e+00 -1.989993100e+00 3.36 -1.924932416e+00 -1.924932416e+00 3.38 -1.861059494e+00 -1.861059494e+00 3.40 -1.798424431e+00 -1.798424431e+00 3.42 -1.737070412e+00 -1.737070412e+00 3.44 -1.677034121e+00 -1.677034121e+00 3.46 -1.618328281e+00 -1.618328281e+00 3.48 -1.560909581e+00 -1.560909581e+00 3.50 -1.504792905e+00 -1.504792905e+00 3.52 -1.449995314e+00 -1.449995314e+00 3.54 -1.396529458e+00 -1.396529458e+00 3.56 -1.344403902e+00 -1.344403902e+00 3.58 -1.293623447e+00 -1.293623447e+00 3.60 -1.244189428e+00 -1.244189428e+00 3.62 -1.196100005e+00 -1.196100005e+00 3.64 -1.149350436e+00 -1.149350436e+00 3.66 -1.103933340e+00 -1.103933340e+00 3.68 -1.059838937e+00 -1.059838937e+00 3.70 -1.017055289e+00 -1.017055289e+00 3.72 -9.755685099e-01 -9.755685099e-01 3.74 -9.353629778e-01 -9.353629778e-01 3.76 -8.964215241e-01 -8.964215241e-01 3.78 -8.587256140e-01 -8.587256140e-01 3.80 -8.222555155e-01 -8.222555155e-01 3.82 -7.869904549e-01 -7.869904549e-01 3.84 -7.529087628e-01 -7.529087628e-01 3.86 -7.199880082e-01 -7.199880082e-01 3.88 -6.882051242e-01 -6.882051242e-01 3.90 -6.575365219e-01 -6.575365219e-01 3.92 -6.279581975e-01 -6.279581975e-01 3.94 -5.994458287e-01 -5.994458287e-01 3.96 -5.719748647e-01 -5.719748647e-01 3.98 -5.455206076e-01 -5.455206076e-01 4.00 -5.200582865e-01 -5.200582865e-01 4.02 -4.955631255e-01 -4.955631255e-01 4.04 -4.720104051e-01 -4.720104051e-01 4.06 -4.493755172e-01 -4.493755172e-01 4.08 -4.276340154e-01 -4.276340154e-01 4.10 -4.067616595e-01 -4.067616595e-01 4.12 -3.867344554e-01 -3.867344554e-01 4.14 -3.675286909e-01 -3.675286909e-01 4.16 -3.491209666e-01 -3.491209666e-01 4.18 -3.314882239e-01 -3.314882239e-01 4.20 -3.146077687e-01 -3.146077687e-01 4.22 -2.984478331e-01 -2.984478331e-01 4.24 -2.829771240e-01 -2.829771240e-01 4.26 -2.681748946e-01 -2.681748946e-01 4.28 -2.540208094e-01 -2.540208094e-01 4.30 -2.404949524e-01 -2.404949524e-01 4.32 -2.275754685e-01 -2.275754685e-01 4.34 -2.152169360e-01 -2.152169360e-01 4.36 -2.033943056e-01 -2.033943056e-01 4.38 -1.920905324e-01 -1.920905324e-01 4.40 -1.812889951e-01 -1.812889951e-01 4.42 -1.709734949e-01 -1.709734949e-01 4.44 -1.611282536e-01 -1.611282536e-01 4.46 -1.517379107e-01 -1.517379107e-01 4.48 -1.427875200e-01 -1.427875200e-01 4.50 -1.342625459e-01 -1.342625459e-01 4.52 -1.261488577e-01 -1.261488577e-01 4.54 -1.184327222e-01 -1.184327222e-01 4.56 -1.111008000e-01 -1.111008000e-01 4.58 -1.041401398e-01 -1.041401398e-01 4.60 -9.753817147e-02 -9.753817147e-02 4.62 -9.128223762e-02 -9.128223762e-02 4.64 -8.536044393e-02 -8.536044393e-02 4.66 -7.976174875e-02 -7.976174875e-02 4.68 -7.447529249e-02 -7.447529249e-02 4.70 -6.949043458e-02 -6.949043458e-02 4.72 -6.479678161e-02 -6.479678161e-02 4.74 -6.038420808e-02 -6.038420808e-02 4.76 -5.624287097e-02 -5.624287097e-02 4.78 -5.236321909e-02 -5.236321909e-02 4.80 -4.873599832e-02 -4.873599832e-02 4.82 -4.535225322e-02 -4.535225322e-02 4.84 -4.220332590e-02 -4.220332590e-02 4.86 -3.927791544e-02 -3.927791544e-02 4.88 -3.654999584e-02 -3.654999584e-02 4.90 -3.398967646e-02 -3.398967646e-02 4.92 -3.158204337e-02 -3.158204337e-02 4.94 -2.932192021e-02 -2.932192021e-02 4.96 -2.720429705e-02 -2.720429705e-02 4.98 -2.522432676e-02 -2.522432676e-02 5.00 -2.336048085e-02 -2.336048085e-02 5.02 -2.159215576e-02 -2.159215576e-02 5.04 -1.991608846e-02 -1.991608846e-02 5.06 -1.832912077e-02 -1.832912077e-02 5.08 -1.682819638e-02 -1.682819638e-02 5.10 -1.541035791e-02 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-3.901951071e-06 -3.901951071e-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