# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAuPt2 # 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 2022-05-24 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 1.059748813e+03 1.059748813e+03 1.00 9.730077963e+02 9.730077963e+02 1.02 8.941206003e+02 8.941206003e+02 1.04 8.222994405e+02 8.222994405e+02 1.06 7.568446541e+02 7.568446541e+02 1.08 6.971316114e+02 6.971316114e+02 1.10 6.426051833e+02 6.426051833e+02 1.12 5.927674727e+02 5.927674727e+02 1.14 5.471724318e+02 5.471724318e+02 1.16 5.054205584e+02 5.054205584e+02 1.18 4.671527965e+02 4.671527965e+02 1.20 4.320466918e+02 4.320466918e+02 1.22 3.998112592e+02 3.998112592e+02 1.24 3.701863917e+02 3.701863917e+02 1.26 3.429362167e+02 3.429362167e+02 1.28 3.178481347e+02 3.178481347e+02 1.30 2.947291278e+02 2.947291278e+02 1.32 2.734063374e+02 2.734063374e+02 1.34 2.537233628e+02 2.537233628e+02 1.36 2.355384375e+02 2.355384375e+02 1.38 2.187234225e+02 2.187234225e+02 1.40 2.031620956e+02 2.031620956e+02 1.42 1.887485284e+02 1.887485284e+02 1.44 1.753875949e+02 1.753875949e+02 1.46 1.629924900e+02 1.629924900e+02 1.48 1.514844994e+02 1.514844994e+02 1.50 1.407920837e+02 1.407920837e+02 1.52 1.308501312e+02 1.308501312e+02 1.54 1.215992928e+02 1.215992928e+02 1.56 1.129853068e+02 1.129853068e+02 1.58 1.049586992e+02 1.049586992e+02 1.60 9.747503029e+01 9.747503029e+01 1.62 9.049298380e+01 9.049298380e+01 1.64 8.397549394e+01 8.397549394e+01 1.66 7.788814049e+01 7.788814049e+01 1.68 7.219946120e+01 7.219946120e+01 1.70 6.688063430e+01 6.688063430e+01 1.72 6.190514264e+01 6.190514264e+01 1.74 5.724875045e+01 5.724875045e+01 1.76 5.288910692e+01 5.288910692e+01 1.78 4.880532937e+01 4.880532937e+01 1.80 4.497859136e+01 4.497859136e+01 1.82 4.139156503e+01 4.139156503e+01 1.84 3.802811236e+01 3.802811236e+01 1.86 3.487334429e+01 3.487334429e+01 1.88 3.191348418e+01 3.191348418e+01 1.90 2.913937029e+01 2.913937029e+01 1.92 2.652488012e+01 2.652488012e+01 1.94 2.409405268e+01 2.409405268e+01 1.96 2.182247164e+01 2.182247164e+01 1.98 1.970053057e+01 1.970053057e+01 2.00 1.771945498e+01 1.771945498e+01 2.02 1.587095661e+01 1.587095661e+01 2.04 1.414726300e+01 1.414726300e+01 2.06 1.254107062e+01 1.254107062e+01 2.08 1.104547248e+01 1.104547248e+01 2.10 9.654060755e+00 9.654060755e+00 2.12 8.360584921e+00 8.360584921e+00 2.14 7.159477093e+00 7.159477093e+00 2.16 6.045365960e+00 6.045365960e+00 2.18 5.013231286e+00 5.013231286e+00 2.20 4.058409797e+00 4.058409797e+00 2.22 3.176324351e+00 3.176324351e+00 2.24 2.362742065e+00 2.362742065e+00 2.26 1.613646897e+00 1.613646897e+00 2.28 9.252105760e-01 9.252105760e-01 2.30 2.937794204e-01 2.937794204e-01 2.32 -2.841481500e-01 -2.841481500e-01 2.34 -8.113427982e-01 -8.113427982e-01 2.36 -1.291283539e+00 -1.291283539e+00 2.38 -1.726875972e+00 -1.726875972e+00 2.40 -2.120936728e+00 -2.120936728e+00 2.42 -2.476222375e+00 -2.476222375e+00 2.44 -2.795145422e+00 -2.795145422e+00 2.46 -3.080131502e+00 -3.080131502e+00 2.48 -3.333492595e+00 -3.333492595e+00 2.50 -3.557391301e+00 -3.557391301e+00 2.52 -3.753877550e+00 -3.753877550e+00 2.54 -3.924893211e+00 -3.924893211e+00 2.56 -4.072276426e+00 -4.072276426e+00 2.58 -4.197765720e+00 -4.197765720e+00 2.60 -4.302951729e+00 -4.302951729e+00 2.62 -4.389002670e+00 -4.389002670e+00 2.64 -4.457823491e+00 -4.457823491e+00 2.66 -4.510962271e+00 -4.510962271e+00 2.68 -4.549694070e+00 -4.549694070e+00 2.70 -4.575004811e+00 -4.575004811e+00 2.72 -4.588076423e+00 -4.588076423e+00 2.74 -4.590026781e+00 -4.590026781e+00 2.76 -4.581855554e+00 -4.581855554e+00 2.78 -4.564956817e+00 -4.564956817e+00 2.80 -4.540079261e+00 -4.540079261e+00 2.82 -4.507698615e+00 -4.507698615e+00 2.84 -4.468572951e+00 -4.468572951e+00 2.86 -4.423408255e+00 -4.423408255e+00 2.88 -4.372860341e+00 -4.372860341e+00 2.90 -4.317580092e+00 -4.317580092e+00 2.92 -4.258554441e+00 -4.258554441e+00 2.94 -4.195801739e+00 -4.195801739e+00 2.96 -4.129800465e+00 -4.129800465e+00 2.98 -4.061007683e+00 -4.061007683e+00 3.00 -3.988443801e+00 -3.988443801e+00 3.02 -3.913792801e+00 -3.913792801e+00 3.04 -3.837567279e+00 -3.837567279e+00 3.06 -3.760078575e+00 -3.760078575e+00 3.08 -3.681608958e+00 -3.681608958e+00 3.10 -3.602271043e+00 -3.602271043e+00 3.12 -3.522317901e+00 -3.522317901e+00 3.14 -3.442145085e+00 -3.442145085e+00 3.16 -3.361849952e+00 -3.361849952e+00 3.18 -3.281661535e+00 -3.281661535e+00 3.20 -3.201768609e+00 -3.201768609e+00 3.22 -3.122314076e+00 -3.122314076e+00 3.24 -3.043414244e+00 -3.043414244e+00 3.26 -2.965829277e+00 -2.965829277e+00 3.28 -2.889208156e+00 -2.889208156e+00 3.30 -2.813419039e+00 -2.813419039e+00 3.32 -2.738544136e+00 -2.738544136e+00 3.34 -2.664656814e+00 -2.664656814e+00 3.36 -2.591821295e+00 -2.591821295e+00 3.38 -2.520093657e+00 -2.520093657e+00 3.40 -2.449537987e+00 -2.449537987e+00 3.42 -2.380394468e+00 -2.380394468e+00 3.44 -2.312471167e+00 -2.312471167e+00 3.46 -2.245797425e+00 -2.245797425e+00 3.48 -2.180397707e+00 -2.180397707e+00 3.50 -2.116290898e+00 -2.116290898e+00 3.52 -2.053488769e+00 -2.053488769e+00 3.54 -1.992013980e+00 -1.992013980e+00 3.56 -1.931869355e+00 -1.931869355e+00 3.58 -1.873033764e+00 -1.873033764e+00 3.60 -1.815501828e+00 -1.815501828e+00 3.62 -1.759219343e+00 -1.759219343e+00 3.64 -1.704098255e+00 -1.704098255e+00 3.66 -1.650124839e+00 -1.650124839e+00 3.68 -1.597398463e+00 -1.597398463e+00 3.70 -1.546008117e+00 -1.546008117e+00 3.72 -1.495959588e+00 -1.495959588e+00 3.74 -1.447206089e+00 -1.447206089e+00 3.76 -1.399702489e+00 -1.399702489e+00 3.78 -1.353418092e+00 -1.353418092e+00 3.80 -1.308332688e+00 -1.308332688e+00 3.82 -1.264437112e+00 -1.264437112e+00 3.84 -1.221726320e+00 -1.221726320e+00 3.86 -1.180185872e+00 -1.180185872e+00 3.88 -1.139781440e+00 -1.139781440e+00 3.90 -1.100483983e+00 -1.100483983e+00 3.92 -1.062282490e+00 -1.062282490e+00 3.94 -1.025178049e+00 -1.025178049e+00 3.96 -9.891344943e-01 -9.891344943e-01 3.98 -9.540451340e-01 -9.540451340e-01 4.00 -9.198529957e-01 -9.198529957e-01 4.02 -8.865391182e-01 -8.865391182e-01 4.04 -8.542282502e-01 -8.542282502e-01 4.06 -8.230198144e-01 -8.230198144e-01 4.08 -7.929828625e-01 -7.929828625e-01 4.10 -7.641900801e-01 -7.641900801e-01 4.12 -7.367308473e-01 -7.367308473e-01 4.14 -7.105328735e-01 -7.105328735e-01 4.16 -6.854971276e-01 -6.854971276e-01 4.18 -6.612941443e-01 -6.612941443e-01 4.20 -6.376361462e-01 -6.376361462e-01 4.22 -6.143170589e-01 -6.143170589e-01 4.24 -5.911959483e-01 -5.911959483e-01 4.26 -5.681832605e-01 -5.681832605e-01 4.28 -5.452294418e-01 -5.452294418e-01 4.30 -5.223155698e-01 -5.223155698e-01 4.32 -4.994456860e-01 -4.994456860e-01 4.34 -4.765993893e-01 -4.765993893e-01 4.36 -4.538121200e-01 -4.538121200e-01 4.38 -4.311500258e-01 -4.311500258e-01 4.40 -4.086937820e-01 -4.086937820e-01 4.42 -3.866115535e-01 -3.866115535e-01 4.44 -3.650415511e-01 -3.650415511e-01 4.46 -3.440881189e-01 -3.440881189e-01 4.48 -3.238276886e-01 -3.238276886e-01 4.50 -3.043137955e-01 -3.043137955e-01 4.52 -2.855812965e-01 -2.855812965e-01 4.54 -2.676499091e-01 -2.676499091e-01 4.56 -2.505269828e-01 -2.505269828e-01 4.58 -2.341941423e-01 -2.341941423e-01 4.60 -2.191038634e-01 -2.191038634e-01 4.62 -2.051932214e-01 -2.051932214e-01 4.64 -1.919755346e-01 -1.919755346e-01 4.66 -1.794453710e-01 -1.794453710e-01 4.68 -1.675791087e-01 -1.675791087e-01 4.70 -1.563515379e-01 -1.563515379e-01 4.72 -1.457364991e-01 -1.457364991e-01 4.74 -1.357073446e-01 -1.357073446e-01 4.76 -1.262373089e-01 -1.262373089e-01 4.78 -1.172998010e-01 -1.172998010e-01 4.80 -1.088603887e-01 -1.088603887e-01 4.82 -1.011456578e-01 -1.011456578e-01 4.84 -9.396542722e-02 -9.396542722e-02 4.86 -8.719322099e-02 -8.719322099e-02 4.88 -8.080743287e-02 -8.080743287e-02 4.90 -7.478732204e-02 -7.478732204e-02 4.92 -6.911303082e-02 -6.911303082e-02 4.94 -6.376559033e-02 -6.376559033e-02 4.96 -5.872691540e-02 -5.872691540e-02 4.98 -5.397979217e-02 -5.397979217e-02 5.00 -4.950785962e-02 -4.950785962e-02 5.02 -4.529558743e-02 -4.529558743e-02 5.04 -4.132825011e-02 -4.132825011e-02 5.06 -3.759189747e-02 -3.759189747e-02 5.08 -3.407332480e-02 -3.407332480e-02 5.10 -3.076004192e-02 -3.076004192e-02 5.12 -2.764024197e-02 -2.764024197e-02 5.14 -2.470276978e-02 -2.470276978e-02 5.16 -2.193709057e-02 -2.193709057e-02 5.18 -1.933325930e-02 -1.933325930e-02 5.20 -1.688189099e-02 -1.688189099e-02 5.22 -1.457413194e-02 -1.457413194e-02 5.24 -1.240163134e-02 -1.240163134e-02 5.26 -1.035648649e-02 -1.035648649e-02 5.28 -8.433101533e-03 -8.433101533e-03 5.30 -6.664167903e-03 -6.664167903e-03 5.32 -5.884272673e-03 -5.884272673e-03 5.34 -5.180310192e-03 -5.180310192e-03 5.36 -4.525945450e-03 -4.525945450e-03 5.38 -3.911535298e-03 -3.911535298e-03 5.40 -3.334700075e-03 -3.334700075e-03 5.42 -2.793198364e-03 -2.793198364e-03 5.44 -2.284919133e-03 -2.284919133e-03 5.46 -1.807874333e-03 -1.807874333e-03 5.48 -1.360191938e-03 -1.360191938e-03 5.50 -9.401093662e-04 -9.401093662e-04 5.52 -5.459671738e-04 -5.459671738e-04 5.54 -1.738326708e-04 -1.738326708e-04 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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 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