# 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 = AuCu2Pd # 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 5.279738758e+02 5.279738758e+02 1.00 4.797109081e+02 4.797109081e+02 1.02 4.361679045e+02 4.361679045e+02 1.04 3.968650738e+02 3.968650738e+02 1.06 3.613700817e+02 3.613700817e+02 1.08 3.293028158e+02 3.293028158e+02 1.10 3.003201936e+02 3.003201936e+02 1.12 2.741122461e+02 2.741122461e+02 1.14 2.503998360e+02 2.503998360e+02 1.16 2.289266296e+02 2.289266296e+02 1.18 2.094714141e+02 2.094714141e+02 1.20 1.918311145e+02 1.918311145e+02 1.22 1.758245116e+02 1.758245116e+02 1.24 1.612898123e+02 1.612898123e+02 1.26 1.480785422e+02 1.480785422e+02 1.28 1.360596402e+02 1.360596402e+02 1.30 1.251126162e+02 1.251126162e+02 1.32 1.151313287e+02 1.151313287e+02 1.34 1.060222597e+02 1.060222597e+02 1.36 9.769823779e+01 9.769823779e+01 1.38 9.008121775e+01 9.008121775e+01 1.40 8.310503411e+01 8.310503411e+01 1.42 7.670693046e+01 7.670693046e+01 1.44 7.083019645e+01 7.083019645e+01 1.46 6.542636704e+01 6.542636704e+01 1.48 6.045200633e+01 6.045200633e+01 1.50 5.586696207e+01 5.586696207e+01 1.52 5.163528772e+01 5.163528772e+01 1.54 4.772437645e+01 4.772437645e+01 1.56 4.410600496e+01 4.410600496e+01 1.58 4.075420185e+01 4.075420185e+01 1.60 3.764658751e+01 3.764658751e+01 1.62 3.476229925e+01 3.476229925e+01 1.64 3.208221771e+01 3.208221771e+01 1.66 2.959006406e+01 2.959006406e+01 1.68 2.727059213e+01 2.727059213e+01 1.70 2.510978459e+01 2.510978459e+01 1.72 2.309661329e+01 2.309661329e+01 1.74 2.121713351e+01 2.121713351e+01 1.76 1.946467221e+01 1.946467221e+01 1.78 1.782950386e+01 1.782950386e+01 1.80 1.630502911e+01 1.630502911e+01 1.82 1.488397462e+01 1.488397462e+01 1.84 1.352769789e+01 1.352769789e+01 1.86 1.227189713e+01 1.227189713e+01 1.88 1.108267262e+01 1.108267262e+01 1.90 9.957422516e+00 9.957422516e+00 1.92 8.893524423e+00 8.893524423e+00 1.94 7.887491563e+00 7.887491563e+00 1.96 6.939146189e+00 6.939146189e+00 1.98 6.046461457e+00 6.046461457e+00 2.00 5.207353057e+00 5.207353057e+00 2.02 4.419885189e+00 4.419885189e+00 2.04 3.682169418e+00 3.682169418e+00 2.06 2.992319785e+00 2.992319785e+00 2.08 2.348408505e+00 2.348408505e+00 2.10 1.748531621e+00 1.748531621e+00 2.12 1.190571952e+00 1.190571952e+00 2.14 6.728496820e-01 6.728496820e-01 2.16 1.932730902e-01 1.932730902e-01 2.18 -2.497090286e-01 -2.497090286e-01 2.20 -6.578132814e-01 -6.578132814e-01 2.22 -1.032674024e+00 -1.032674024e+00 2.24 -1.374933648e+00 -1.374933648e+00 2.26 -1.687662600e+00 -1.687662600e+00 2.28 -1.972464518e+00 -1.972464518e+00 2.30 -2.230913306e+00 -2.230913306e+00 2.32 -2.464464638e+00 -2.464464638e+00 2.34 -2.674487905e+00 -2.674487905e+00 2.36 -2.862299626e+00 -2.862299626e+00 2.38 -3.029433214e+00 -3.029433214e+00 2.40 -3.177183826e+00 -3.177183826e+00 2.42 -3.306823363e+00 -3.306823363e+00 2.44 -3.419512566e+00 -3.419512566e+00 2.46 -3.515955225e+00 -3.515955225e+00 2.48 -3.597539478e+00 -3.597539478e+00 2.50 -3.665781332e+00 -3.665781332e+00 2.52 -3.721290585e+00 -3.721290585e+00 2.54 -3.764999722e+00 -3.764999722e+00 2.56 -3.797785394e+00 -3.797785394e+00 2.58 -3.820443262e+00 -3.820443262e+00 2.60 -3.835127183e+00 -3.835127183e+00 2.62 -3.841567206e+00 -3.841567206e+00 2.64 -3.839926057e+00 -3.839926057e+00 2.66 -3.831144331e+00 -3.831144331e+00 2.68 -3.815841563e+00 -3.815841563e+00 2.70 -3.794521862e+00 -3.794521862e+00 2.72 -3.767727561e+00 -3.767727561e+00 2.74 -3.735968482e+00 -3.735968482e+00 2.76 -3.699720466e+00 -3.699720466e+00 2.78 -3.659669940e+00 -3.659669940e+00 2.80 -3.616176067e+00 -3.616176067e+00 2.82 -3.569196575e+00 -3.569196575e+00 2.84 -3.518056943e+00 -3.518056943e+00 2.86 -3.464474936e+00 -3.464474936e+00 2.88 -3.408736591e+00 -3.408736591e+00 2.90 -3.351146486e+00 -3.351146486e+00 2.92 -3.292105610e+00 -3.292105610e+00 2.94 -3.231707395e+00 -3.231707395e+00 2.96 -3.170184772e+00 -3.170184772e+00 2.98 -3.107748760e+00 -3.107748760e+00 3.00 -3.044648283e+00 -3.044648283e+00 3.02 -2.980336821e+00 -2.980336821e+00 3.04 -2.915655027e+00 -2.915655027e+00 3.06 -2.851311141e+00 -2.851311141e+00 3.08 -2.786907142e+00 -2.786907142e+00 3.10 -2.722582094e+00 -2.722582094e+00 3.12 -2.658453182e+00 -2.658453182e+00 3.14 -2.594626829e+00 -2.594626829e+00 3.16 -2.531199421e+00 -2.531199421e+00 3.18 -2.468258010e+00 -2.468258010e+00 3.20 -2.405880969e+00 -2.405880969e+00 3.22 -2.344138605e+00 -2.344138605e+00 3.24 -2.283087969e+00 -2.283087969e+00 3.26 -2.223084630e+00 -2.223084630e+00 3.28 -2.163967636e+00 -2.163967636e+00 3.30 -2.105676780e+00 -2.105676780e+00 3.32 -2.048250657e+00 -2.048250657e+00 3.34 -1.991723250e+00 -1.991723250e+00 3.36 -1.936123600e+00 -1.936123600e+00 3.38 -1.881472806e+00 -1.881472806e+00 3.40 -1.827819738e+00 -1.827819738e+00 3.42 -1.775329632e+00 -1.775329632e+00 3.44 -1.723783491e+00 -1.723783491e+00 3.46 -1.673153584e+00 -1.673153584e+00 3.48 -1.623343239e+00 -1.623343239e+00 3.50 -1.574354971e+00 -1.574354971e+00 3.52 -1.526359617e+00 -1.526359617e+00 3.54 -1.479449235e+00 -1.479449235e+00 3.56 -1.433587656e+00 -1.433587656e+00 3.58 -1.388751154e+00 -1.388751154e+00 3.60 -1.344939230e+00 -1.344939230e+00 3.62 -1.302132259e+00 -1.302132259e+00 3.64 -1.260290622e+00 -1.260290622e+00 3.66 -1.219379449e+00 -1.219379449e+00 3.68 -1.179396502e+00 -1.179396502e+00 3.70 -1.140360084e+00 -1.140360084e+00 3.72 -1.102278709e+00 -1.102278709e+00 3.74 -1.065147718e+00 -1.065147718e+00 3.76 -1.028960285e+00 -1.028960285e+00 3.78 -9.937060710e-01 -9.937060710e-01 3.80 -9.593747848e-01 -9.593747848e-01 3.82 -9.259425649e-01 -9.259425649e-01 3.84 -8.933958057e-01 -8.933958057e-01 3.86 -8.617232476e-01 -8.617232476e-01 3.88 -8.309053214e-01 -8.309053214e-01 3.90 -8.009376503e-01 -8.009376503e-01 3.92 -7.717715372e-01 -7.717715372e-01 3.94 -7.433415077e-01 -7.433415077e-01 3.96 -7.156835650e-01 -7.156835650e-01 3.98 -6.887607793e-01 -6.887607793e-01 4.00 -6.626105338e-01 -6.626105338e-01 4.02 -6.372824874e-01 -6.372824874e-01 4.04 -6.128112198e-01 -6.128112198e-01 4.06 -5.892401296e-01 -5.892401296e-01 4.08 -5.666428859e-01 -5.666428859e-01 4.10 -5.448957492e-01 -5.448957492e-01 4.12 -5.239312916e-01 -5.239312916e-01 4.14 -5.036298847e-01 -5.036298847e-01 4.16 -4.838108377e-01 -4.838108377e-01 4.18 -4.643413405e-01 -4.643413405e-01 4.20 -4.451273047e-01 -4.451273047e-01 4.22 -4.261056120e-01 -4.261056120e-01 4.24 -4.072376427e-01 -4.072376427e-01 4.26 -3.885035858e-01 -3.885035858e-01 4.28 -3.698626767e-01 -3.698626767e-01 4.30 -3.520693155e-01 -3.520693155e-01 4.32 -3.347526437e-01 -3.347526437e-01 4.34 -3.176551000e-01 -3.176551000e-01 4.36 -3.008205264e-01 -3.008205264e-01 4.38 -2.843084162e-01 -2.843084162e-01 4.40 -2.681968219e-01 -2.681968219e-01 4.42 -2.525450252e-01 -2.525450252e-01 4.44 -2.373966625e-01 -2.373966625e-01 4.46 -2.227823862e-01 -2.227823862e-01 4.48 -2.087221343e-01 -2.087221343e-01 4.50 -1.952270472e-01 -1.952270472e-01 4.52 -1.823010965e-01 -1.823010965e-01 4.54 -1.699424606e-01 -1.699424606e-01 4.56 -1.581445731e-01 -1.581445731e-01 4.58 -1.468880026e-01 -1.468880026e-01 4.60 -1.364250496e-01 -1.364250496e-01 4.62 -1.267140692e-01 -1.267140692e-01 4.64 -1.174709739e-01 -1.174709739e-01 4.66 -1.086881685e-01 -1.086881685e-01 4.68 -1.003483104e-01 -1.003483104e-01 4.70 -9.243367681e-02 -9.243367681e-02 4.72 -8.492642529e-02 -8.492642529e-02 4.74 -7.780877303e-02 -7.780877303e-02 4.76 -7.106314299e-02 -7.106314299e-02 4.78 -6.467227427e-02 -6.467227427e-02 4.80 -5.861627511e-02 -5.861627511e-02 4.82 -5.297160613e-02 -5.297160613e-02 4.84 -4.766155734e-02 -4.766155734e-02 4.86 -4.263316922e-02 -4.263316922e-02 4.88 -3.787233060e-02 -3.787233060e-02 4.90 -3.336548523e-02 -3.336548523e-02 4.92 -2.909902783e-02 -2.909902783e-02 4.94 -2.498805025e-02 -2.498805025e-02 4.96 -2.214261971e-02 -2.214261971e-02 4.98 -2.047096003e-02 -2.047096003e-02 5.00 -1.882392572e-02 -1.882392572e-02 5.02 -1.726781320e-02 -1.726781320e-02 5.04 -1.579828518e-02 -1.579828518e-02 5.06 -1.441069044e-02 -1.441069044e-02 5.08 -1.310060695e-02 -1.310060695e-02 5.10 -1.186383398e-02 -1.186383398e-02 5.12 -1.069638389e-02 -1.069638389e-02 5.14 -9.594473634e-03 -9.594473634e-03 5.16 -8.554516110e-03 -8.554516110e-03 5.18 -7.573111622e-03 -7.573111622e-03 5.20 -6.647039437e-03 -6.647039437e-03 5.22 -5.773249532e-03 -5.773249532e-03 5.24 -4.948854328e-03 -4.948854328e-03 5.26 -4.171110692e-03 -4.171110692e-03 5.28 -3.438090727e-03 -3.438090727e-03 5.30 -2.761619722e-03 -2.761619722e-03 5.32 -2.442184135e-03 -2.442184135e-03 5.34 -2.152048315e-03 -2.152048315e-03 5.36 -1.881633959e-03 -1.881633959e-03 5.38 -1.627395672e-03 -1.627395672e-03 5.40 -1.388396189e-03 -1.388396189e-03 5.42 -1.163750705e-03 -1.163750705e-03 5.44 -9.526240284e-04 -9.526240284e-04 5.46 -7.542279037e-04 -7.542279037e-04 5.48 -5.678184743e-04 -5.678184743e-04 5.50 -3.926938855e-04 -3.926938855e-04 5.52 -2.281919757e-04 -2.281919757e-04 5.54 -7.269631110e-05 -7.269631110e-05 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 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