# 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 = Au2PtTa # 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 4.377315444e+02 4.377315444e+02 1.30 4.082516184e+02 4.082516184e+02 1.32 3.808013137e+02 3.808013137e+02 1.34 3.552244063e+02 3.552244063e+02 1.36 3.313741147e+02 3.313741147e+02 1.38 3.091102884e+02 3.091102884e+02 1.40 2.883016442e+02 2.883016442e+02 1.42 2.688311943e+02 2.688311943e+02 1.44 2.506005526e+02 2.506005526e+02 1.46 2.335299555e+02 2.335299555e+02 1.48 2.175539706e+02 2.175539706e+02 1.50 2.026149933e+02 2.026149933e+02 1.52 1.886569021e+02 1.886569021e+02 1.54 1.756208189e+02 1.756208189e+02 1.56 1.634440659e+02 1.634440659e+02 1.58 1.520619933e+02 1.520619933e+02 1.60 1.414112030e+02 1.414112030e+02 1.62 1.314325152e+02 1.314325152e+02 1.64 1.220726275e+02 1.220726275e+02 1.66 1.132843647e+02 1.132843647e+02 1.68 1.050261332e+02 1.050261332e+02 1.70 9.726120582e+01 9.726120582e+01 1.72 8.995695723e+01 8.995695723e+01 1.74 8.308384291e+01 8.308384291e+01 1.76 7.661415538e+01 7.661415538e+01 1.78 7.052101866e+01 7.052101866e+01 1.80 6.477807738e+01 6.477807738e+01 1.82 5.935988797e+01 5.935988797e+01 1.84 5.424484317e+01 5.424484317e+01 1.86 4.941491419e+01 4.941491419e+01 1.88 4.489062590e+01 4.489062590e+01 1.90 4.069992836e+01 4.069992836e+01 1.92 3.682208490e+01 3.682208490e+01 1.94 3.323799159e+01 3.323799159e+01 1.96 2.993021424e+01 2.993021424e+01 1.98 2.688214803e+01 2.688214803e+01 2.00 2.407743963e+01 2.407743963e+01 2.02 2.149974697e+01 2.149974697e+01 2.04 1.913279023e+01 1.913279023e+01 2.06 1.696058014e+01 1.696058014e+01 2.08 1.496770349e+01 1.496770349e+01 2.10 1.313957286e+01 1.313957286e+01 2.12 1.146259046e+01 1.146259046e+01 2.14 9.924220637e+00 9.924220637e+00 2.16 8.512994944e+00 8.512994944e+00 2.18 7.218479051e+00 7.218479051e+00 2.20 6.031218505e+00 6.031218505e+00 2.22 4.942668772e+00 4.942668772e+00 2.24 3.945110963e+00 3.945110963e+00 2.26 3.031556706e+00 3.031556706e+00 2.28 2.195648289e+00 2.195648289e+00 2.30 1.431561785e+00 1.431561785e+00 2.32 7.339209968e-01 7.339209968e-01 2.34 9.772881747e-02 9.772881747e-02 2.36 -4.816801673e-01 -4.816801673e-01 2.38 -1.008665789e+00 -1.008665789e+00 2.40 -1.487290806e+00 -1.487290806e+00 2.42 -1.921318153e+00 -1.921318153e+00 2.44 -2.314204669e+00 -2.314204669e+00 2.46 -2.669099475e+00 -2.669099475e+00 2.48 -2.988854694e+00 -2.988854694e+00 2.50 -3.276049233e+00 -3.276049233e+00 2.52 -3.532934780e+00 -3.532934780e+00 2.54 -3.761764994e+00 -3.761764994e+00 2.56 -3.964731862e+00 -3.964731862e+00 2.58 -4.143915731e+00 -4.143915731e+00 2.60 -4.301305220e+00 -4.301305220e+00 2.62 -4.438948707e+00 -4.438948707e+00 2.64 -4.559844345e+00 -4.559844345e+00 2.66 -4.665502710e+00 -4.665502710e+00 2.68 -4.756833085e+00 -4.756833085e+00 2.70 -4.834597885e+00 -4.834597885e+00 2.72 -4.899512908e+00 -4.899512908e+00 2.74 -4.952242442e+00 -4.952242442e+00 2.76 -4.993401124e+00 -4.993401124e+00 2.78 -5.023559972e+00 -5.023559972e+00 2.80 -5.043253948e+00 -5.043253948e+00 2.82 -5.052989981e+00 -5.052989981e+00 2.84 -5.053255514e+00 -5.053255514e+00 2.86 -5.044527997e+00 -5.044527997e+00 2.88 -5.027285576e+00 -5.027285576e+00 2.90 -5.002018439e+00 -5.002018439e+00 2.92 -4.969239381e+00 -4.969239381e+00 2.94 -4.929520875e+00 -4.929520875e+00 2.96 -4.883543380e+00 -4.883543380e+00 2.98 -4.831813247e+00 -4.831813247e+00 3.00 -4.774842638e+00 -4.774842638e+00 3.02 -4.713154548e+00 -4.713154548e+00 3.04 -4.647257727e+00 -4.647257727e+00 3.06 -4.577624833e+00 -4.577624833e+00 3.08 -4.504677349e+00 -4.504677349e+00 3.10 -4.428778964e+00 -4.428778964e+00 3.12 -4.350236815e+00 -4.350236815e+00 3.14 -4.269303032e+00 -4.269303032e+00 3.16 -4.186188718e+00 -4.186188718e+00 3.18 -4.101085674e+00 -4.101085674e+00 3.20 -4.014181062e+00 -4.014181062e+00 3.22 -3.925670278e+00 -3.925670278e+00 3.24 -3.835767090e+00 -3.835767090e+00 3.26 -3.744709995e+00 -3.744709995e+00 3.28 -3.652764088e+00 -3.652764088e+00 3.30 -3.560218229e+00 -3.560218229e+00 3.32 -3.467406400e+00 -3.467406400e+00 3.34 -3.374844453e+00 -3.374844453e+00 3.36 -3.283053974e+00 -3.283053974e+00 3.38 -3.192459962e+00 -3.192459962e+00 3.40 -3.103386832e+00 -3.103386832e+00 3.42 -3.016060123e+00 -3.016060123e+00 3.44 -2.930613441e+00 -2.930613441e+00 3.46 -2.847099631e+00 -2.847099631e+00 3.48 -2.765504616e+00 -2.765504616e+00 3.50 -2.685762309e+00 -2.685762309e+00 3.52 -2.607769228e+00 -2.607769228e+00 3.54 -2.531397867e+00 -2.531397867e+00 3.56 -2.456508292e+00 -2.456508292e+00 3.58 -2.382957849e+00 -2.382957849e+00 3.60 -2.310609089e+00 -2.310609089e+00 3.62 -2.239336190e+00 -2.239336190e+00 3.64 -2.169030145e+00 -2.169030145e+00 3.66 -2.099602974e+00 -2.099602974e+00 3.68 -2.030991072e+00 -2.030991072e+00 3.70 -1.963157740e+00 -1.963157740e+00 3.72 -1.896094775e+00 -1.896094775e+00 3.74 -1.829822974e+00 -1.829822974e+00 3.76 -1.764391324e+00 -1.764391324e+00 3.78 -1.699874719e+00 -1.699874719e+00 3.80 -1.636370110e+00 -1.636370110e+00 3.82 -1.573991170e+00 -1.573991170e+00 3.84 -1.512861705e+00 -1.512861705e+00 3.86 -1.453108268e+00 -1.453108268e+00 3.88 -1.394852517e+00 -1.394852517e+00 3.90 -1.338203995e+00 -1.338203995e+00 3.92 -1.283253929e+00 -1.283253929e+00 3.94 -1.230070615e+00 -1.230070615e+00 3.96 -1.178696680e+00 -1.178696680e+00 3.98 -1.129148429e+00 -1.129148429e+00 4.00 -1.081417176e+00 -1.081417176e+00 4.02 -1.035472302e+00 -1.035472302e+00 4.04 -9.912656797e-01 -9.912656797e-01 4.06 -9.487369746e-01 -9.487369746e-01 4.08 -9.078193238e-01 -9.078193238e-01 4.10 -8.684448762e-01 -8.684448762e-01 4.12 -8.305497510e-01 -8.305497510e-01 4.14 -7.940779316e-01 -7.940779316e-01 4.16 -7.589838821e-01 -7.589838821e-01 4.18 -7.252336258e-01 -7.252336258e-01 4.20 -6.928042976e-01 -6.928042976e-01 4.22 -6.616823147e-01 -6.616823147e-01 4.24 -6.318604790e-01 -6.318604790e-01 4.26 -6.033344395e-01 -6.033344395e-01 4.28 -5.760989912e-01 -5.760989912e-01 4.30 -5.501446538e-01 -5.501446538e-01 4.32 -5.254548812e-01 -5.254548812e-01 4.34 -5.020041144e-01 -5.020041144e-01 4.36 -4.797567543e-01 -4.797567543e-01 4.38 -4.586670104e-01 -4.586670104e-01 4.40 -4.386795009e-01 -4.386795009e-01 4.42 -4.197304343e-01 -4.197304343e-01 4.44 -4.017491886e-01 -4.017491886e-01 4.46 -3.846601126e-01 -3.846601126e-01 4.48 -3.683843975e-01 -3.683843975e-01 4.50 -3.528418981e-01 -3.528418981e-01 4.52 -3.379528195e-01 -3.379528195e-01 4.54 -3.236392222e-01 -3.236392222e-01 4.56 -3.098263299e-01 -3.098263299e-01 4.58 -2.964436552e-01 -2.964436552e-01 4.60 -2.834259703e-01 -2.834259703e-01 4.62 -2.707141635e-01 -2.707141635e-01 4.64 -2.582560177e-01 -2.582560177e-01 4.66 -2.460069358e-01 -2.460069358e-01 4.68 -2.339306221e-01 -2.339306221e-01 4.70 -2.219997051e-01 -2.219997051e-01 4.72 -2.101962644e-01 -2.101962644e-01 4.74 -1.985122022e-01 -1.985122022e-01 4.76 -1.869493860e-01 -1.869493860e-01 4.78 -1.755194842e-01 -1.755194842e-01 4.80 -1.642434242e-01 -1.642434242e-01 4.82 -1.531504394e-01 -1.531504394e-01 4.84 -1.422766744e-01 -1.422766744e-01 4.86 -1.316634245e-01 -1.316634245e-01 4.88 -1.213550721e-01 -1.213550721e-01 4.90 -1.113968626e-01 -1.113968626e-01 4.92 -1.018326698e-01 -1.018326698e-01 4.94 -9.270291110e-02 -9.270291110e-02 4.96 -8.404274922e-02 -8.404274922e-02 4.98 -7.588068714e-02 -7.588068714e-02 5.00 -6.823761525e-02 -6.823761525e-02 5.02 -6.112632646e-02 -6.112632646e-02 5.04 -5.455147110e-02 -5.455147110e-02 5.06 -4.850989846e-02 -4.850989846e-02 5.08 -4.299131619e-02 -4.299131619e-02 5.10 -3.797917149e-02 -3.797917149e-02 5.12 -3.345169846e-02 -3.345169846e-02 5.14 -2.938302250e-02 -2.938302250e-02 5.16 -2.574420730e-02 -2.574420730e-02 5.18 -2.250401261e-02 -2.250401261e-02 5.20 -1.963089525e-02 -1.963089525e-02 5.22 -1.709354139e-02 -1.709354139e-02 5.24 -1.486047927e-02 -1.486047927e-02 5.26 -1.290122490e-02 -1.290122490e-02 5.28 -1.118691862e-02 -1.118691862e-02 5.30 -9.690595808e-03 -9.690595808e-03 5.32 -8.387348834e-03 -8.387348834e-03 5.34 -7.254398617e-03 -7.254398617e-03 5.36 -6.271094015e-03 -6.271094015e-03 5.38 -5.418855860e-03 -5.418855860e-03 5.40 -4.681080802e-03 -4.681080802e-03 5.42 -4.043017940e-03 -4.043017940e-03 5.44 -3.491629001e-03 -3.491629001e-03 5.46 -3.015440643e-03 -3.015440643e-03 5.48 -2.604395458e-03 -2.604395458e-03 5.50 -2.249706498e-03 -2.249706498e-03 5.52 -1.943718682e-03 -1.943718682e-03 5.54 -1.679779238e-03 -1.679779238e-03 5.56 -1.452118426e-03 -1.452118426e-03 5.58 -1.255741038e-03 -1.255741038e-03 5.60 -1.086328709e-03 -1.086328709e-03 5.62 -9.401526774e-04 -9.401526774e-04 5.64 -8.139964278e-04 -8.139964278e-04 5.66 -7.050874719e-04 -7.050874719e-04 5.68 -6.110374985e-04 -6.110374985e-04 5.70 -5.297900695e-04 -5.297900695e-04 5.72 -4.595750680e-04 -4.595750680e-04 5.74 -3.988691421e-04 -3.988691421e-04 5.76 -3.463614352e-04 -3.463614352e-04 5.78 -3.009239574e-04 -3.009239574e-04 5.80 -2.615860103e-04 -2.615860103e-04 5.82 -2.275121409e-04 -2.275121409e-04 5.84 -1.979831595e-04 -1.979831595e-04 5.86 -1.723798080e-04 -1.723798080e-04 5.88 -1.501687207e-04 -1.501687207e-04 5.90 -1.308903595e-04 -1.308903595e-04 5.92 -1.141486525e-04 -1.141486525e-04 5.94 -9.960209518e-05 -9.960209518e-05 5.96 -8.695611073e-05 -8.695611073e-05 5.98 -7.595649074e-05 -7.595649074e-05 6.00 -6.638376376e-05 -6.638376376e-05