# 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 = Ag2AuPt # 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 6.804809250e+06 6.804809250e+06 0.88 6.216162839e+06 6.216162839e+06 0.90 5.679417867e+06 5.679417867e+06 0.92 5.189071288e+06 5.189071288e+06 0.94 4.740255226e+06 4.740255226e+06 0.96 4.328760971e+06 4.328760971e+06 0.98 3.950799891e+06 3.950799891e+06 1.00 3.603068634e+06 3.603068634e+06 1.02 3.282656309e+06 3.282656309e+06 1.04 2.987022168e+06 2.987022168e+06 1.06 2.713867752e+06 2.713867752e+06 1.08 2.461161987e+06 2.461161987e+06 1.10 2.227024494e+06 2.227024494e+06 1.12 2.009828222e+06 2.009828222e+06 1.14 1.808120785e+06 1.808120785e+06 1.16 1.620564849e+06 1.620564849e+06 1.18 1.445977067e+06 1.445977067e+06 1.20 1.283300683e+06 1.283300683e+06 1.22 1.131555464e+06 1.131555464e+06 1.24 9.898808900e+05 9.898808900e+05 1.26 8.574985015e+05 8.574985015e+05 1.28 7.336988189e+05 7.336988189e+05 1.30 6.189315601e+05 6.189315601e+05 1.32 5.145011617e+05 5.145011617e+05 1.34 4.208040739e+05 4.208040739e+05 1.36 3.379874791e+05 3.379874791e+05 1.38 2.702772084e+05 2.702772084e+05 1.40 2.164208660e+05 2.164208660e+05 1.42 1.735173773e+05 1.735173773e+05 1.44 1.392866248e+05 1.392866248e+05 1.46 1.119361499e+05 1.119361499e+05 1.48 9.005382208e+04 9.005382208e+04 1.50 7.252082385e+04 7.252082385e+04 1.52 5.845377644e+04 5.845377644e+04 1.54 4.715523533e+04 4.715523533e+04 1.56 3.807032547e+04 3.807032547e+04 1.58 3.075695849e+04 3.075695849e+04 1.60 2.486412871e+04 2.486412871e+04 1.62 2.011163951e+04 2.011163951e+04 1.64 1.627573442e+04 1.627573442e+04 1.66 1.317652723e+04 1.317652723e+04 1.68 1.067021422e+04 1.067021422e+04 1.70 8.642344122e+03 8.642344122e+03 1.72 7.000939855e+03 7.000939855e+03 1.74 5.671836337e+03 5.671836337e+03 1.76 4.595162372e+03 4.595162372e+03 1.78 3.722773086e+03 3.722773086e+03 1.80 3.015785302e+03 3.015785302e+03 1.82 2.442738532e+03 2.442738532e+03 1.84 1.978181617e+03 1.978181617e+03 1.86 1.601570859e+03 1.601570859e+03 1.88 1.296266736e+03 1.296266736e+03 1.90 1.048732588e+03 1.048732588e+03 1.92 8.480380495e+02 8.480380495e+02 1.94 6.853551546e+02 6.853551546e+02 1.96 5.535213363e+02 5.535213363e+02 1.98 4.467216113e+02 4.467216113e+02 2.00 3.602312346e+02 3.602312346e+02 2.02 2.901902503e+02 2.901902503e+02 2.04 2.334916831e+02 2.334916831e+02 2.06 1.876193488e+02 1.876193488e+02 2.08 1.505276494e+02 1.505276494e+02 2.10 1.205539046e+02 1.205539046e+02 2.12 9.634636018e+01 9.634636018e+01 2.14 7.680787603e+01 7.680787603e+01 2.16 6.104757049e+01 6.104757049e+01 2.18 4.834119383e+01 4.834119383e+01 2.20 3.810125591e+01 3.810125591e+01 2.22 2.985095813e+01 2.985095813e+01 2.24 2.320815844e+01 2.320815844e+01 2.26 1.786185144e+01 1.786185144e+01 2.28 1.356094472e+01 1.356094472e+01 2.30 1.010299070e+01 1.010299070e+01 2.32 7.324049732e+00 7.324049732e+00 2.34 5.091524090e+00 5.091524090e+00 2.36 3.298301164e+00 3.298301164e+00 2.38 1.857976814e+00 1.857976814e+00 2.40 7.009523253e-01 7.009523253e-01 2.42 -2.287558353e-01 -2.287558353e-01 2.44 -9.761100084e-01 -9.761100084e-01 2.46 -1.577194092e+00 -1.577194092e+00 2.48 -2.060873295e+00 -2.060873295e+00 2.50 -2.450169819e+00 -2.450169819e+00 2.52 -2.763466991e+00 -2.763466991e+00 2.54 -3.015422041e+00 -3.015422041e+00 2.56 -3.217705223e+00 -3.217705223e+00 2.58 -3.379597751e+00 -3.379597751e+00 2.60 -3.508474688e+00 -3.508474688e+00 2.62 -3.610194162e+00 -3.610194162e+00 2.64 -3.689410442e+00 -3.689410442e+00 2.66 -3.749825180e+00 -3.749825180e+00 2.68 -3.794388524e+00 -3.794388524e+00 2.70 -3.825459653e+00 -3.825459653e+00 2.72 -3.844932282e+00 -3.844932282e+00 2.74 -3.854334415e+00 -3.854334415e+00 2.76 -3.854917005e+00 -3.854917005e+00 2.78 -3.847712471e+00 -3.847712471e+00 2.80 -3.833583773e+00 -3.833583773e+00 2.82 -3.813262206e+00 -3.813262206e+00 2.84 -3.787337360e+00 -3.787337360e+00 2.86 -3.756312647e+00 -3.756312647e+00 2.88 -3.720675999e+00 -3.720675999e+00 2.90 -3.680868877e+00 -3.680868877e+00 2.92 -3.637294945e+00 -3.637294945e+00 2.94 -3.590327437e+00 -3.590327437e+00 2.96 -3.540249996e+00 -3.540249996e+00 2.98 -3.487256697e+00 -3.487256697e+00 3.00 -3.431641620e+00 -3.431641620e+00 3.02 -3.373688619e+00 -3.373688619e+00 3.04 -3.313667648e+00 -3.313667648e+00 3.06 -3.251835790e+00 -3.251835790e+00 3.08 -3.188437943e+00 -3.188437943e+00 3.10 -3.123707280e+00 -3.123707280e+00 3.12 -3.057865549e+00 -3.057865549e+00 3.14 -2.991123273e+00 -2.991123273e+00 3.16 -2.923679890e+00 -2.923679890e+00 3.18 -2.855723874e+00 -2.855723874e+00 3.20 -2.787432844e+00 -2.787432844e+00 3.22 -2.718973697e+00 -2.718973697e+00 3.24 -2.650502749e+00 -2.650502749e+00 3.26 -2.582165912e+00 -2.582165912e+00 3.28 -2.514098901e+00 -2.514098901e+00 3.30 -2.446427468e+00 -2.446427468e+00 3.32 -2.379265443e+00 -2.379265443e+00 3.34 -2.312693591e+00 -2.312693591e+00 3.36 -2.246802362e+00 -2.246802362e+00 3.38 -2.181681025e+00 -2.181681025e+00 3.40 -2.117410535e+00 -2.117410535e+00 3.42 -2.054063880e+00 -2.054063880e+00 3.44 -1.991706454e+00 -1.991706454e+00 3.46 -1.930384681e+00 -1.930384681e+00 3.48 -1.870062900e+00 -1.870062900e+00 3.50 -1.810764864e+00 -1.810764864e+00 3.52 -1.752530425e+00 -1.752530425e+00 3.54 -1.695393975e+00 -1.695393975e+00 3.56 -1.639384784e+00 -1.639384784e+00 3.58 -1.584527329e+00 -1.584527329e+00 3.60 -1.530841606e+00 -1.530841606e+00 3.62 -1.478343447e+00 -1.478343447e+00 3.64 -1.427044808e+00 -1.427044808e+00 3.66 -1.376954062e+00 -1.376954062e+00 3.68 -1.328076268e+00 -1.328076268e+00 3.70 -1.280413437e+00 -1.280413437e+00 3.72 -1.233964779e+00 -1.233964779e+00 3.74 -1.188726940e+00 -1.188726940e+00 3.76 -1.144694232e+00 -1.144694232e+00 3.78 -1.101858838e+00 -1.101858838e+00 3.80 -1.060211020e+00 -1.060211020e+00 3.82 -1.019739306e+00 -1.019739306e+00 3.84 -9.804306683e-01 -9.804306683e-01 3.86 -9.422706881e-01 -9.422706881e-01 3.88 -9.052437152e-01 -9.052437152e-01 3.90 -8.693330119e-01 -8.693330119e-01 3.92 -8.345208896e-01 -8.345208896e-01 3.94 -8.007888351e-01 -8.007888351e-01 3.96 -7.681176279e-01 -7.681176279e-01 3.98 -7.364874494e-01 -7.364874494e-01 4.00 -7.058779833e-01 -7.058779833e-01 4.02 -6.762685082e-01 -6.762685082e-01 4.04 -6.476379833e-01 -6.476379833e-01 4.06 -6.199651268e-01 -6.199651268e-01 4.08 -5.932284879e-01 -5.932284879e-01 4.10 -5.674065121e-01 -5.674065121e-01 4.12 -5.424776019e-01 -5.424776019e-01 4.14 -5.184201706e-01 -5.184201706e-01 4.16 -4.952126922e-01 -4.952126922e-01 4.18 -4.728337457e-01 -4.728337457e-01 4.20 -4.512620556e-01 -4.512620556e-01 4.22 -4.304765278e-01 -4.304765278e-01 4.24 -4.104562818e-01 -4.104562818e-01 4.26 -3.911806796e-01 -3.911806796e-01 4.28 -3.726293510e-01 -3.726293510e-01 4.30 -3.547822155e-01 -3.547822155e-01 4.32 -3.376195022e-01 -3.376195022e-01 4.34 -3.211217666e-01 -3.211217666e-01 4.36 -3.052699045e-01 -3.052699045e-01 4.38 -2.900451650e-01 -2.900451650e-01 4.40 -2.754291598e-01 -2.754291598e-01 4.42 -2.614038721e-01 -2.614038721e-01 4.44 -2.479516630e-01 -2.479516630e-01 4.46 -2.350552765e-01 -2.350552765e-01 4.48 -2.226978428e-01 -2.226978428e-01 4.50 -2.108628813e-01 -2.108628813e-01 4.52 -1.995343009e-01 -1.995343009e-01 4.54 -1.886964006e-01 -1.886964006e-01 4.56 -1.783338685e-01 -1.783338685e-01 4.58 -1.684317799e-01 -1.684317799e-01 4.60 -1.589755947e-01 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-2.149385009e-05 5.64 5.100475054e-11 5.100475053e-11 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