# 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 = Au2MoPd # 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 3.668101601e+02 3.668101601e+02 1.30 3.404477124e+02 3.404477124e+02 1.32 3.159819544e+02 3.159819544e+02 1.34 2.932713135e+02 2.932713135e+02 1.36 2.721896425e+02 2.721896425e+02 1.38 2.526212986e+02 2.526212986e+02 1.40 2.344575407e+02 2.344575407e+02 1.42 2.175945345e+02 2.175945345e+02 1.44 2.019329272e+02 2.019329272e+02 1.46 1.873784717e+02 1.873784717e+02 1.48 1.738429067e+02 1.738429067e+02 1.50 1.612445934e+02 1.612445934e+02 1.52 1.495088467e+02 1.495088467e+02 1.54 1.385679580e+02 1.385679580e+02 1.56 1.283608319e+02 1.283608319e+02 1.58 1.188322898e+02 1.188322898e+02 1.60 1.099322238e+02 1.099322238e+02 1.62 1.016147669e+02 1.016147669e+02 1.64 9.383763313e+01 9.383763313e+01 1.66 8.656177748e+01 8.656177748e+01 1.68 7.975136966e+01 7.975136966e+01 1.70 7.337389231e+01 7.337389231e+01 1.72 6.740016676e+01 6.740016676e+01 1.74 6.180422598e+01 6.180422598e+01 1.76 5.656301968e+01 5.656301968e+01 1.78 5.166755015e+01 5.166755015e+01 1.80 4.712742499e+01 4.712742499e+01 1.82 4.293065111e+01 4.293065111e+01 1.84 3.905433150e+01 3.905433150e+01 1.86 3.547621833e+01 3.547621833e+01 1.88 3.217491100e+01 3.217491100e+01 1.90 2.913010279e+01 2.913010279e+01 1.92 2.632275104e+01 2.632275104e+01 1.94 2.373509693e+01 2.373509693e+01 1.96 2.135056815e+01 2.135056815e+01 1.98 1.915365175e+01 1.915365175e+01 2.00 1.712980677e+01 1.712980677e+01 2.02 1.526543161e+01 1.526543161e+01 2.04 1.354785929e+01 1.354785929e+01 2.06 1.196534750e+01 1.196534750e+01 2.08 1.050704958e+01 1.050704958e+01 2.10 9.162974417e+00 9.162974417e+00 2.12 7.923949619e+00 7.923949619e+00 2.14 6.781593955e+00 6.781593955e+00 2.16 5.728293296e+00 5.728293296e+00 2.18 4.757168761e+00 4.757168761e+00 2.20 3.862029571e+00 3.862029571e+00 2.22 3.037310830e+00 3.037310830e+00 2.24 2.278001983e+00 2.278001983e+00 2.26 1.579572970e+00 1.579572970e+00 2.28 9.379034561e-01 9.379034561e-01 2.30 3.492184784e-01 3.492184784e-01 2.32 -1.899676149e-01 -1.899676149e-01 2.34 -6.828976800e-01 -6.828976800e-01 2.36 -1.132607820e+00 -1.132607820e+00 2.38 -1.541952504e+00 -1.541952504e+00 2.40 -1.913619644e+00 -1.913619644e+00 2.42 -2.250138564e+00 -2.250138564e+00 2.44 -2.553885580e+00 -2.553885580e+00 2.46 -2.827091923e+00 -2.827091923e+00 2.48 -3.071856463e+00 -3.071856463e+00 2.50 -3.290115851e+00 -3.290115851e+00 2.52 -3.483654431e+00 -3.483654431e+00 2.54 -3.654407094e+00 -3.654407094e+00 2.56 -3.804223617e+00 -3.804223617e+00 2.58 -3.934851113e+00 -3.934851113e+00 2.60 -4.047930658e+00 -4.047930658e+00 2.62 -4.144987398e+00 -4.144987398e+00 2.64 -4.227417270e+00 -4.227417270e+00 2.66 -4.296436703e+00 -4.296436703e+00 2.68 -4.352941822e+00 -4.352941822e+00 2.70 -4.397689794e+00 -4.397689794e+00 2.72 -4.431371289e+00 -4.431371289e+00 2.74 -4.454643369e+00 -4.454643369e+00 2.76 -4.468487302e+00 -4.468487302e+00 2.78 -4.473485925e+00 -4.473485925e+00 2.80 -4.469959245e+00 -4.469959245e+00 2.82 -4.458080889e+00 -4.458080889e+00 2.84 -4.438080237e+00 -4.438080237e+00 2.86 -4.410241532e+00 -4.410241532e+00 2.88 -4.374911795e+00 -4.374911795e+00 2.90 -4.332571310e+00 -4.332571310e+00 2.92 -4.283789703e+00 -4.283789703e+00 2.94 -4.229165085e+00 -4.229165085e+00 2.96 -4.169303363e+00 -4.169303363e+00 2.98 -4.104814246e+00 -4.104814246e+00 3.00 -4.036303506e+00 -4.036303506e+00 3.02 -3.964357829e+00 -3.964357829e+00 3.04 -3.889530645e+00 -3.889530645e+00 3.06 -3.812329821e+00 -3.812329821e+00 3.08 -3.733207695e+00 -3.733207695e+00 3.10 -3.652553976e+00 -3.652553976e+00 3.12 -3.570692132e+00 -3.570692132e+00 3.14 -3.487879828e+00 -3.487879828e+00 3.16 -3.404313553e+00 -3.404313553e+00 3.18 -3.320137011e+00 -3.320137011e+00 3.20 -3.235452261e+00 -3.235452261e+00 3.22 -3.150332367e+00 -3.150332367e+00 3.24 -3.064834375e+00 -3.064834375e+00 3.26 -2.979011695e+00 -2.979011695e+00 3.28 -2.892925267e+00 -2.892925267e+00 3.30 -2.806653132e+00 -2.806653132e+00 3.32 -2.720298130e+00 -2.720298130e+00 3.34 -2.633993437e+00 -2.633993437e+00 3.36 -2.547905641e+00 -2.547905641e+00 3.38 -2.462235063e+00 -2.462235063e+00 3.40 -2.377213088e+00 -2.377213088e+00 3.42 -2.293096517e+00 -2.293096517e+00 3.44 -2.210159185e+00 -2.210159185e+00 3.46 -2.128681465e+00 -2.128681465e+00 3.48 -2.048938549e+00 -2.048938549e+00 3.50 -1.971188592e+00 -1.971188592e+00 3.52 -1.895661853e+00 -1.895661853e+00 3.54 -1.822551809e+00 -1.822551809e+00 3.56 -1.752008960e+00 -1.752008960e+00 3.58 -1.684137640e+00 -1.684137640e+00 3.60 -1.618995798e+00 -1.618995798e+00 3.62 -1.556597385e+00 -1.556597385e+00 3.64 -1.496916762e+00 -1.496916762e+00 3.66 -1.439894451e+00 -1.439894451e+00 3.68 -1.385443568e+00 -1.385443568e+00 3.70 -1.333456361e+00 -1.333456361e+00 3.72 -1.283810414e+00 -1.283810414e+00 3.74 -1.236374216e+00 -1.236374216e+00 3.76 -1.191011925e+00 -1.191011925e+00 3.78 -1.147587292e+00 -1.147587292e+00 3.80 -1.105966729e+00 -1.105966729e+00 3.82 -1.066021627e+00 -1.066021627e+00 3.84 -1.027630001e+00 -1.027630001e+00 3.86 -9.906775871e-01 -9.906775871e-01 3.88 -9.550584972e-01 -9.550584972e-01 3.90 -9.206755567e-01 -9.206755567e-01 3.92 -8.874404131e-01 -8.874404131e-01 3.94 -8.552735167e-01 -8.552735167e-01 3.96 -8.241040264e-01 -8.241040264e-01 3.98 -7.938697019e-01 -7.938697019e-01 4.00 -7.645167858e-01 -7.645167858e-01 4.02 -7.359998676e-01 -7.359998676e-01 4.04 -7.082816906e-01 -7.082816906e-01 4.06 -6.813328451e-01 -6.813328451e-01 4.08 -6.551312889e-01 -6.551312889e-01 4.10 -6.296616486e-01 -6.296616486e-01 4.12 -6.049143038e-01 -6.049143038e-01 4.14 -5.808842518e-01 -5.808842518e-01 4.16 -5.575698752e-01 -5.575698752e-01 4.18 -5.349716833e-01 -5.349716833e-01 4.20 -5.130911520e-01 -5.130911520e-01 4.22 -4.919297429e-01 -4.919297429e-01 4.24 -4.714881407e-01 -4.714881407e-01 4.26 -4.517656863e-01 -4.517656863e-01 4.28 -4.327599442e-01 -4.327599442e-01 4.30 -4.144663221e-01 -4.144663221e-01 4.32 -3.968776765e-01 -3.968776765e-01 4.34 -3.799838765e-01 -3.799838765e-01 4.36 -3.637713495e-01 -3.637713495e-01 4.38 -3.482226723e-01 -3.482226723e-01 4.40 -3.333162950e-01 -3.333162950e-01 4.42 -3.190264762e-01 -3.190264762e-01 4.44 -3.053234814e-01 -3.053234814e-01 4.46 -2.921740548e-01 -2.921740548e-01 4.48 -2.795421352e-01 -2.795421352e-01 4.50 -2.673897539e-01 -2.673897539e-01 4.52 -2.556780422e-01 -2.556780422e-01 4.54 -2.443682709e-01 -2.443682709e-01 4.56 -2.334228587e-01 -2.334228587e-01 4.58 -2.228063002e-01 -2.228063002e-01 4.60 -2.124859813e-01 -2.124859813e-01 4.62 -2.024328596e-01 -2.024328596e-01 4.64 -1.926219978e-01 -1.926219978e-01 4.66 -1.830329406e-01 -1.830329406e-01 4.68 -1.736499274e-01 -1.736499274e-01 4.70 -1.644619370e-01 -1.644619370e-01 4.72 -1.554625647e-01 -1.554625647e-01 4.74 -1.466497413e-01 -1.466497413e-01 4.76 -1.380253154e-01 -1.380253154e-01 4.78 -1.295945316e-01 -1.295945316e-01 4.80 -1.213654477e-01 -1.213654477e-01 4.82 -1.133483436e-01 -1.133483436e-01 4.84 -1.055551477e-01 -1.055551477e-01 4.86 -9.799893375e-02 -9.799893375e-02 4.88 -9.069348448e-02 -9.069348448e-02 4.90 -8.365291625e-02 -8.365291625e-02 4.92 -7.689133871e-02 -7.689133871e-02 4.94 -7.042228430e-02 -7.042228430e-02 4.96 -6.425865135e-02 -6.425865135e-02 4.98 -5.841261111e-02 -5.841261111e-02 5.00 -5.289460464e-02 -5.289460464e-02 5.02 -4.771287040e-02 -4.771287040e-02 5.04 -4.287298458e-02 -4.287298458e-02 5.06 -3.837746056e-02 -3.837746056e-02 5.08 -3.422545927e-02 -3.422545927e-02 5.10 -3.041265190e-02 -3.041265190e-02 5.12 -2.693125592e-02 -2.693125592e-02 5.14 -2.377024619e-02 -2.377024619e-02 5.16 -2.091572153e-02 -2.091572153e-02 5.18 -1.835138870e-02 -1.835138870e-02 5.20 -1.605909648e-02 -1.605909648e-02 5.22 -1.401916316e-02 -1.401916316e-02 5.24 -1.221166533e-02 -1.221166533e-02 5.26 -1.061658172e-02 -1.061658172e-02 5.28 -9.214100548e-03 -9.214100548e-03 5.30 -7.985022375e-03 -7.985022375e-03 5.32 -6.911067146e-03 -6.911067146e-03 5.34 -5.975090819e-03 -5.975090819e-03 5.36 -5.161221679e-03 -5.161221679e-03 5.38 -4.454928929e-03 -4.454928929e-03 5.40 -3.843036877e-03 -3.843036877e-03 5.42 -3.313697517e-03 -3.313697517e-03 5.44 -2.856333023e-03 -2.856333023e-03 5.46 -2.461557985e-03 -2.461557985e-03 5.48 -2.121089423e-03 -2.121089423e-03 5.50 -1.827650883e-03 -1.827650883e-03 5.52 -1.574875366e-03 -1.574875366e-03 5.54 -1.357210499e-03 -1.357210499e-03 5.56 -1.169828288e-03 -1.169828288e-03 5.58 -1.008540913e-03 -1.008540913e-03 5.60 -8.697233797e-04 -8.697233797e-04 5.62 -7.502433431e-04 -7.502433431e-04 5.64 -6.473980827e-04 -6.473980827e-04 5.66 -5.588583678e-04 -5.588583678e-04 5.68 -4.826187992e-04 -4.826187992e-04 5.70 -4.169541321e-04 -4.169541321e-04 5.72 -3.603810415e-04 -3.603810415e-04 5.74 -3.116247845e-04 -3.116247845e-04 5.76 -2.695902301e-04 -2.695902301e-04 5.78 -2.333367535e-04 -2.333367535e-04 5.80 -2.020565307e-04 -2.020565307e-04 5.82 -1.750558086e-04 -1.750558086e-04 5.84 -1.517387692e-04 -1.517387692e-04 5.86 -1.315936460e-04 -1.315936460e-04 5.88 -1.141807918e-04 -1.141807918e-04 5.90 -9.912243206e-05 -9.912243206e-05 5.92 -8.609387128e-05 -8.609387128e-05 5.94 -7.481595105e-05 -7.481595105e-05 5.96 -6.504858319e-05 -6.504858319e-05 5.98 -5.658520672e-05 -5.658520672e-05 6.00 -4.924803718e-05 -4.924803718e-05