# 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 = Ag2MoTi # 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 2.917699745e+02 2.917699745e+02 1.30 2.702544346e+02 2.702544346e+02 1.32 2.503550140e+02 2.503550140e+02 1.34 2.319397476e+02 2.319397476e+02 1.36 2.148870435e+02 2.148870435e+02 1.38 1.990857299e+02 1.990857299e+02 1.40 1.844348051e+02 1.844348051e+02 1.42 1.708427570e+02 1.708427570e+02 1.44 1.582267034e+02 1.582267034e+02 1.46 1.465115218e+02 1.465115218e+02 1.48 1.356290619e+02 1.356290619e+02 1.50 1.255175132e+02 1.255175132e+02 1.52 1.161208110e+02 1.161208110e+02 1.54 1.073879333e+02 1.073879333e+02 1.56 9.927215547e+01 9.927215547e+01 1.58 9.173039134e+01 9.173039134e+01 1.60 8.472263729e+01 8.472263729e+01 1.62 7.821151386e+01 7.821151386e+01 1.64 7.216190628e+01 7.216190628e+01 1.66 6.654069593e+01 6.654069593e+01 1.68 6.131661445e+01 6.131661445e+01 1.70 5.646027076e+01 5.646027076e+01 1.72 5.194430146e+01 5.194430146e+01 1.74 4.774464885e+01 4.774464885e+01 1.76 4.383998720e+01 4.383998720e+01 1.78 4.020970465e+01 4.020970465e+01 1.80 3.683671344e+01 3.683671344e+01 1.82 3.370308787e+01 3.370308787e+01 1.84 3.079223852e+01 3.079223852e+01 1.86 2.808902618e+01 2.808902618e+01 1.88 2.557958733e+01 2.557958733e+01 1.90 2.325111982e+01 2.325111982e+01 1.92 2.109166886e+01 2.109166886e+01 1.94 1.908995792e+01 1.908995792e+01 1.96 1.723529299e+01 1.723529299e+01 1.98 1.551753525e+01 1.551753525e+01 2.00 1.392710457e+01 1.392710457e+01 2.02 1.245497458e+01 1.245497458e+01 2.04 1.109264521e+01 1.109264521e+01 2.06 9.832104694e+00 9.832104694e+00 2.08 8.665800954e+00 8.665800954e+00 2.10 7.586634343e+00 7.586634343e+00 2.12 6.587969276e+00 6.587969276e+00 2.14 5.663653724e+00 5.663653724e+00 2.16 4.808035334e+00 4.808035334e+00 2.18 4.015964923e+00 4.015964923e+00 2.20 3.282781073e+00 3.282781073e+00 2.22 2.604273735e+00 2.604273735e+00 2.24 1.976632761e+00 1.976632761e+00 2.26 1.396392677e+00 1.396392677e+00 2.28 8.603843837e-01 8.603843837e-01 2.30 3.656986351e-01 3.656986351e-01 2.32 -9.034238199e-02 -9.034238199e-02 2.34 -5.102089708e-01 -5.102089708e-01 2.36 -8.961875448e-01 -8.961875448e-01 2.38 -1.250404200e+00 -1.250404200e+00 2.40 -1.574847765e+00 -1.574847765e+00 2.42 -1.871390475e+00 -1.871390475e+00 2.44 -2.141804186e+00 -2.141804186e+00 2.46 -2.387747525e+00 -2.387747525e+00 2.48 -2.610701799e+00 -2.610701799e+00 2.50 -2.812292472e+00 -2.812292472e+00 2.52 -2.994085193e+00 -2.994085193e+00 2.54 -3.157546592e+00 -3.157546592e+00 2.56 -3.304049008e+00 -3.304049008e+00 2.58 -3.434877692e+00 -3.434877692e+00 2.60 -3.551286406e+00 -3.551286406e+00 2.62 -3.654343674e+00 -3.654343674e+00 2.64 -3.744869745e+00 -3.744869745e+00 2.66 -3.823521106e+00 -3.823521106e+00 2.68 -3.890927516e+00 -3.890927516e+00 2.70 -3.947689867e+00 -3.947689867e+00 2.72 -3.994377721e+00 -3.994377721e+00 2.74 -4.031497761e+00 -4.031497761e+00 2.76 -4.059404627e+00 -4.059404627e+00 2.78 -4.078429128e+00 -4.078429128e+00 2.80 -4.088916829e+00 -4.088916829e+00 2.82 -4.091227332e+00 -4.091227332e+00 2.84 -4.085735315e+00 -4.085735315e+00 2.86 -4.072832958e+00 -4.072832958e+00 2.88 -4.052933578e+00 -4.052933578e+00 2.90 -4.026475549e+00 -4.026475549e+00 2.92 -3.993925408e+00 -3.993925408e+00 2.94 -3.955779222e+00 -3.955779222e+00 2.96 -3.912561591e+00 -3.912561591e+00 2.98 -3.864821856e+00 -3.864821856e+00 3.00 -3.813146693e+00 -3.813146693e+00 3.02 -3.758301812e+00 -3.758301812e+00 3.04 -3.700724721e+00 -3.700724721e+00 3.06 -3.640761831e+00 -3.640761831e+00 3.08 -3.578750499e+00 -3.578750499e+00 3.10 -3.514999179e+00 -3.514999179e+00 3.12 -3.449771965e+00 -3.449771965e+00 3.14 -3.383279856e+00 -3.383279856e+00 3.16 -3.315679459e+00 -3.315679459e+00 3.18 -3.247089965e+00 -3.247089965e+00 3.20 -3.177597397e+00 -3.177597397e+00 3.22 -3.107253501e+00 -3.107253501e+00 3.24 -3.036088420e+00 -3.036088420e+00 3.26 -2.964123466e+00 -2.964123466e+00 3.28 -2.891382881e+00 -2.891382881e+00 3.30 -2.817904183e+00 -2.817904183e+00 3.32 -2.743746848e+00 -2.743746848e+00 3.34 -2.668999113e+00 -2.668999113e+00 3.36 -2.593782656e+00 -2.593782656e+00 3.38 -2.518254894e+00 -2.518254894e+00 3.40 -2.442608668e+00 -2.442608668e+00 3.42 -2.367069333e+00 -2.367069333e+00 3.44 -2.291889112e+00 -2.291889112e+00 3.46 -2.217339395e+00 -2.217339395e+00 3.48 -2.143701258e+00 -2.143701258e+00 3.50 -2.071254980e+00 -2.071254980e+00 3.52 -2.000269261e+00 -2.000269261e+00 3.54 -1.930990846e+00 -1.930990846e+00 3.56 -1.863635246e+00 -1.863635246e+00 3.58 -1.798379212e+00 -1.798379212e+00 3.60 -1.735355573e+00 -1.735355573e+00 3.62 -1.674650880e+00 -1.674650880e+00 3.64 -1.616306063e+00 -1.616306063e+00 3.66 -1.560319876e+00 -1.560319876e+00 3.68 -1.506654550e+00 -1.506654550e+00 3.70 -1.455242814e+00 -1.455242814e+00 3.72 -1.405995395e+00 -1.405995395e+00 3.74 -1.358808206e+00 -1.358808206e+00 3.76 -1.313568715e+00 -1.313568715e+00 3.78 -1.270161196e+00 -1.270161196e+00 3.80 -1.228470799e+00 -1.228470799e+00 3.82 -1.188386522e+00 -1.188386522e+00 3.84 -1.149803222e+00 -1.149803222e+00 3.86 -1.112622841e+00 -1.112622841e+00 3.88 -1.076755009e+00 -1.076755009e+00 3.90 -1.042117184e+00 -1.042117184e+00 3.92 -1.008634409e+00 -1.008634409e+00 3.94 -9.762389832e-01 -9.762389832e-01 3.96 -9.448696711e-01 -9.448696711e-01 3.98 -9.144711601e-01 -9.144711601e-01 4.00 -8.849933336e-01 -8.849933336e-01 4.02 -8.563906143e-01 -8.563906143e-01 4.04 -8.286213829e-01 -8.286213829e-01 4.06 -8.016474988e-01 -8.016474988e-01 4.08 -7.754339421e-01 -7.754339421e-01 4.10 -7.499485180e-01 -7.499485180e-01 4.12 -7.251620348e-01 -7.251620348e-01 4.14 -7.010478824e-01 -7.010478824e-01 4.16 -6.775824542e-01 -6.775824542e-01 4.18 -6.547452408e-01 -6.547452408e-01 4.20 -6.325190247e-01 -6.325190247e-01 4.22 -6.108900390e-01 -6.108900390e-01 4.24 -5.898480298e-01 -5.898480298e-01 4.26 -5.693861622e-01 -5.693861622e-01 4.28 -5.495007188e-01 -5.495007188e-01 4.30 -5.301905620e-01 -5.301905620e-01 4.32 -5.114563628e-01 -5.114563628e-01 4.34 -4.932996336e-01 -4.932996336e-01 4.36 -4.757216449e-01 -4.757216449e-01 4.38 -4.587223262e-01 -4.587223262e-01 4.40 -4.422992678e-01 -4.422992678e-01 4.42 -4.264469247e-01 -4.264469247e-01 4.44 -4.111560994e-01 -4.111560994e-01 4.46 -3.964137351e-01 -3.964137351e-01 4.48 -3.822030088e-01 -3.822030088e-01 4.50 -3.685036783e-01 -3.685036783e-01 4.52 -3.552926111e-01 -3.552926111e-01 4.54 -3.425444177e-01 -3.425444177e-01 4.56 -3.302321177e-01 -3.302321177e-01 4.58 -3.183277807e-01 -3.183277807e-01 4.60 -3.068031047e-01 -3.068031047e-01 4.62 -2.956299159e-01 -2.956299159e-01 4.64 -2.847805864e-01 -2.847805864e-01 4.66 -2.742283817e-01 -2.742283817e-01 4.68 -2.639477571e-01 -2.639477571e-01 4.70 -2.539146217e-01 -2.539146217e-01 4.72 -2.441065944e-01 -2.441065944e-01 4.74 -2.345032674e-01 -2.345032674e-01 4.76 -2.250864915e-01 -2.250864915e-01 4.78 -2.158406895e-01 -2.158406895e-01 4.80 -2.067531534e-01 -2.067531534e-01 4.82 -1.978145758e-01 -1.978145758e-01 4.84 -1.890191207e-01 -1.890191207e-01 4.86 -1.803649286e-01 -1.803649286e-01 4.88 -1.718542981e-01 -1.718542981e-01 4.90 -1.634937959e-01 -1.634937959e-01 4.92 -1.552941954e-01 -1.552941954e-01 4.94 -1.472702022e-01 -1.472702022e-01 4.96 -1.394399382e-01 -1.394399382e-01 4.98 -1.318241765e-01 -1.318241765e-01 5.00 -1.244453483e-01 -1.244453483e-01 5.02 -1.173263724e-01 -1.173263724e-01 5.04 -1.104893891e-01 -1.104893891e-01 5.06 -1.039544973e-01 -1.039544973e-01 5.08 -9.773860493e-02 -9.773860493e-02 5.10 -9.185449313e-02 -9.185449313e-02 5.12 -8.631017014e-02 -8.631017014e-02 5.14 -8.110855025e-02 -8.110855025e-02 5.16 -7.624746937e-02 -7.624746937e-02 5.18 -7.171999108e-02 -7.171999108e-02 5.20 -6.751487696e-02 -6.751487696e-02 5.22 -6.361734130e-02 -6.361734130e-02 5.24 -6.001017598e-02 -6.001017598e-02 5.26 -5.667407320e-02 -5.667407320e-02 5.28 -5.358859692e-02 -5.358859692e-02 5.30 -5.073306054e-02 -5.073306054e-02 5.32 -4.808675345e-02 -4.808675345e-02 5.34 -4.562942309e-02 -4.562942309e-02 5.36 -4.334163489e-02 -4.334163489e-02 5.38 -4.120502041e-02 -4.120502041e-02 5.40 -3.920243250e-02 -3.920243250e-02 5.42 -3.731802731e-02 -3.731802731e-02 5.44 -3.553729189e-02 -3.553729189e-02 5.46 -3.384703466e-02 -3.384703466e-02 5.48 -3.223535298e-02 -3.223535298e-02 5.50 -3.069158963e-02 -3.069158963e-02 5.52 -2.920628737e-02 -2.920628737e-02 5.54 -2.777114798e-02 -2.777114798e-02 5.56 -2.637899927e-02 -2.637899927e-02 5.58 -2.502377274e-02 -2.502377274e-02 5.60 -2.370049107e-02 -2.370049107e-02 5.62 -2.240526260e-02 -2.240526260e-02 5.64 -2.113527838e-02 -2.113527838e-02 5.66 -1.988880566e-02 -1.988880566e-02 5.68 -1.866517023e-02 -1.866517023e-02 5.70 -1.746471956e-02 -1.746471956e-02 5.72 -1.628875920e-02 -1.628875920e-02 5.74 -1.513945633e-02 -1.513945633e-02 5.76 -1.401970393e-02 -1.401970393e-02 5.78 -1.293278647e-02 -1.293278647e-02 5.80 -1.188248804e-02 -1.188248804e-02 5.82 -1.087285094e-02 -1.087285094e-02 5.84 -9.907819762e-03 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