# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuNi2Pt # 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 7.382645216e+02 7.382645216e+02 1.00 6.700345401e+02 6.700345401e+02 1.02 6.082817905e+02 6.082817905e+02 1.04 5.523906276e+02 5.523906276e+02 1.06 5.018054793e+02 5.018054793e+02 1.08 4.560201899e+02 4.560201899e+02 1.10 4.145844701e+02 4.145844701e+02 1.12 3.770785586e+02 3.770785586e+02 1.14 3.431275054e+02 3.431275054e+02 1.16 3.123957365e+02 3.123957365e+02 1.18 2.845752967e+02 2.845752967e+02 1.20 2.593862557e+02 2.593862557e+02 1.22 2.365725408e+02 2.365725408e+02 1.24 2.159073258e+02 2.159073258e+02 1.26 1.971798364e+02 1.971798364e+02 1.28 1.802005869e+02 1.802005869e+02 1.30 1.647995200e+02 1.647995200e+02 1.32 1.508212017e+02 1.508212017e+02 1.34 1.381249247e+02 1.381249247e+02 1.36 1.265858627e+02 1.265858627e+02 1.38 1.160901604e+02 1.160901604e+02 1.40 1.065326683e+02 1.065326683e+02 1.42 9.782257630e+01 9.782257630e+01 1.44 8.987723985e+01 8.987723985e+01 1.46 8.262121565e+01 8.262121565e+01 1.48 7.598608064e+01 7.598608064e+01 1.50 6.991169580e+01 6.991169580e+01 1.52 6.434450851e+01 6.434450851e+01 1.54 5.923583747e+01 5.923583747e+01 1.56 5.454118979e+01 5.454118979e+01 1.58 5.022120486e+01 5.022120486e+01 1.60 4.624169590e+01 4.624169590e+01 1.62 4.257186955e+01 4.257186955e+01 1.64 3.918203525e+01 3.918203525e+01 1.66 3.604736601e+01 3.604736601e+01 1.68 3.314537221e+01 3.314537221e+01 1.70 3.045536567e+01 3.045536567e+01 1.72 2.795758283e+01 2.795758283e+01 1.74 2.563779359e+01 2.563779359e+01 1.76 2.348119404e+01 2.348119404e+01 1.78 2.147389341e+01 2.147389341e+01 1.80 1.960429169e+01 1.960429169e+01 1.82 1.786270030e+01 1.786270030e+01 1.84 1.624280434e+01 1.624280434e+01 1.86 1.473628413e+01 1.473628413e+01 1.88 1.333417337e+01 1.333417337e+01 1.90 1.197785908e+01 1.197785908e+01 1.92 1.072308417e+01 1.072308417e+01 1.94 9.530086445e+00 9.530086445e+00 1.96 8.398016671e+00 8.398016671e+00 1.98 7.326029209e+00 7.326029209e+00 2.00 6.313101807e+00 6.313101807e+00 2.02 5.358066775e+00 5.358066775e+00 2.04 4.459606531e+00 4.459606531e+00 2.06 3.616300143e+00 3.616300143e+00 2.08 2.826527101e+00 2.826527101e+00 2.10 2.088263592e+00 2.088263592e+00 2.12 1.399877085e+00 1.399877085e+00 2.14 7.602115628e-01 7.602115628e-01 2.16 1.680790409e-01 1.680790409e-01 2.18 -3.796292479e-01 -3.796292479e-01 2.20 -8.847281536e-01 -8.847281536e-01 2.22 -1.349203517e+00 -1.349203517e+00 2.24 -1.774809203e+00 -1.774809203e+00 2.26 -2.163347611e+00 -2.163347611e+00 2.28 -2.516498287e+00 -2.516498287e+00 2.30 -2.836135400e+00 -2.836135400e+00 2.32 -3.124162555e+00 -3.124162555e+00 2.34 -3.382272572e+00 -3.382272572e+00 2.36 -3.612170348e+00 -3.612170348e+00 2.38 -3.815237313e+00 -3.815237313e+00 2.40 -3.993014729e+00 -3.993014729e+00 2.42 -4.147846167e+00 -4.147846167e+00 2.44 -4.280835193e+00 -4.280835193e+00 2.46 -4.393438101e+00 -4.393438101e+00 2.48 -4.487065196e+00 -4.487065196e+00 2.50 -4.563073198e+00 -4.563073198e+00 2.52 -4.623470131e+00 -4.623470131e+00 2.54 -4.669113043e+00 -4.669113043e+00 2.56 -4.700729579e+00 -4.700729579e+00 2.58 -4.719619761e+00 -4.719619761e+00 2.60 -4.726845939e+00 -4.726845939e+00 2.62 -4.723415243e+00 -4.723415243e+00 2.64 -4.710255718e+00 -4.710255718e+00 2.66 -4.688253695e+00 -4.688253695e+00 2.68 -4.658355123e+00 -4.658355123e+00 2.70 -4.621293543e+00 -4.621293543e+00 2.72 -4.577808891e+00 -4.577808891e+00 2.74 -4.528592203e+00 -4.528592203e+00 2.76 -4.474308501e+00 -4.474308501e+00 2.78 -4.415031165e+00 -4.415031165e+00 2.80 -4.351760771e+00 -4.351760771e+00 2.82 -4.285086230e+00 -4.285086230e+00 2.84 -4.215478127e+00 -4.215478127e+00 2.86 -4.143369105e+00 -4.143369105e+00 2.88 -4.069164432e+00 -4.069164432e+00 2.90 -3.992774986e+00 -3.992774986e+00 2.92 -3.914740280e+00 -3.914740280e+00 2.94 -3.835679677e+00 -3.835679677e+00 2.96 -3.756417784e+00 -3.756417784e+00 2.98 -3.676581436e+00 -3.676581436e+00 3.00 -3.596356979e+00 -3.596356979e+00 3.02 -3.515704635e+00 -3.515704635e+00 3.04 -3.435120195e+00 -3.435120195e+00 3.06 -3.354768079e+00 -3.354768079e+00 3.08 -3.274797124e+00 -3.274797124e+00 3.10 -3.195340016e+00 -3.195340016e+00 3.12 -3.116514757e+00 -3.116514757e+00 3.14 -3.038425935e+00 -3.038425935e+00 3.16 -2.961165871e+00 -2.961165871e+00 3.18 -2.884815677e+00 -2.884815677e+00 3.20 -2.809446279e+00 -2.809446279e+00 3.22 -2.735119270e+00 -2.735119270e+00 3.24 -2.661880911e+00 -2.661880911e+00 3.26 -2.590129373e+00 -2.590129373e+00 3.28 -2.519654235e+00 -2.519654235e+00 3.30 -2.450365631e+00 -2.450365631e+00 3.32 -2.382290667e+00 -2.382290667e+00 3.34 -2.315452198e+00 -2.315452198e+00 3.36 -2.249867625e+00 -2.249867625e+00 3.38 -2.185549659e+00 -2.185549659e+00 3.40 -2.122524577e+00 -2.122524577e+00 3.42 -2.060950836e+00 -2.060950836e+00 3.44 -2.000680196e+00 -2.000680196e+00 3.46 -1.941732473e+00 -1.941732473e+00 3.48 -1.883836708e+00 -1.883836708e+00 3.50 -1.826831481e+00 -1.826831481e+00 3.52 -1.770925447e+00 -1.770925447e+00 3.54 -1.716321752e+00 -1.716321752e+00 3.56 -1.663029366e+00 -1.663029366e+00 3.58 -1.610985712e+00 -1.610985712e+00 3.60 -1.560154150e+00 -1.560154150e+00 3.62 -1.510507184e+00 -1.510507184e+00 3.64 -1.462037605e+00 -1.462037605e+00 3.66 -1.414743288e+00 -1.414743288e+00 3.68 -1.368626894e+00 -1.368626894e+00 3.70 -1.323660580e+00 -1.323660580e+00 3.72 -1.279811131e+00 -1.279811131e+00 3.74 -1.237076481e+00 -1.237076481e+00 3.76 -1.195457471e+00 -1.195457471e+00 3.78 -1.154933193e+00 -1.154933193e+00 3.80 -1.115355841e+00 -1.115355841e+00 3.82 -1.076736763e+00 -1.076736763e+00 3.84 -1.039154380e+00 -1.039154380e+00 3.86 -1.002647909e+00 -1.002647909e+00 3.88 -9.672289348e-01 -9.672289348e-01 3.90 -9.329246009e-01 -9.329246009e-01 3.92 -8.998017290e-01 -8.998017290e-01 3.94 -8.679177786e-01 -8.679177786e-01 3.96 -8.370156029e-01 -8.370156029e-01 3.98 -8.067534783e-01 -8.067534783e-01 4.00 -7.770562756e-01 -7.770562756e-01 4.02 -7.479113177e-01 -7.479113177e-01 4.04 -7.193216862e-01 -7.193216862e-01 4.06 -6.913010825e-01 -6.913010825e-01 4.08 -6.638698135e-01 -6.638698135e-01 4.10 -6.370565412e-01 -6.370565412e-01 4.12 -6.110260265e-01 -6.110260265e-01 4.14 -5.856128718e-01 -5.856128718e-01 4.16 -5.607497657e-01 -5.607497657e-01 4.18 -5.370045500e-01 -5.370045500e-01 4.20 -5.136413431e-01 -5.136413431e-01 4.22 -4.906770102e-01 -4.906770102e-01 4.24 -4.681176184e-01 -4.681176184e-01 4.26 -4.459730074e-01 -4.459730074e-01 4.28 -4.242553368e-01 -4.242553368e-01 4.30 -4.029781379e-01 -4.029781379e-01 4.32 -3.821555297e-01 -3.821555297e-01 4.34 -3.618015820e-01 -3.618015820e-01 4.36 -3.418900660e-01 -3.418900660e-01 4.38 -3.224138071e-01 -3.224138071e-01 4.40 -3.034643083e-01 -3.034643083e-01 4.42 -2.851114488e-01 -2.851114488e-01 4.44 -2.674052708e-01 -2.674052708e-01 4.46 -2.503795018e-01 -2.503795018e-01 4.48 -2.340545329e-01 -2.340545329e-01 4.50 -2.184399253e-01 -2.184399253e-01 4.52 -2.035365155e-01 -2.035365155e-01 4.54 -1.893381844e-01 -1.893381844e-01 4.56 -1.758332474e-01 -1.758332474e-01 4.58 -1.629979915e-01 -1.629979915e-01 4.60 -1.510371493e-01 -1.510371493e-01 4.62 -1.399041729e-01 -1.399041729e-01 4.64 -1.293504390e-01 -1.293504390e-01 4.66 -1.193613521e-01 -1.193613521e-01 4.68 -1.099138597e-01 -1.099138597e-01 4.70 -1.009845206e-01 -1.009845206e-01 4.72 -9.254983290e-02 -9.254983290e-02 4.74 -8.458647385e-02 -8.458647385e-02 4.76 -7.707148794e-02 -7.707148794e-02 4.78 -6.998928944e-02 -6.998928944e-02 4.80 -6.331960430e-02 -6.331960430e-02 4.82 -5.882588463e-02 -5.882588463e-02 4.84 -5.466674502e-02 -5.466674502e-02 4.86 -5.074457928e-02 -5.074457928e-02 4.88 -4.704720177e-02 -4.704720177e-02 4.90 -4.356273398e-02 -4.356273398e-02 4.92 -4.027976143e-02 -4.027976143e-02 4.94 -3.718734637e-02 -3.718734637e-02 4.96 -3.427503268e-02 -3.427503268e-02 4.98 -3.153284512e-02 -3.153284512e-02 5.00 -2.895128401e-02 -2.895128401e-02 5.02 -2.652131680e-02 -2.652131680e-02 5.04 -2.423436660e-02 -2.423436660e-02 5.06 -2.208229812e-02 -2.208229812e-02 5.08 -2.005740269e-02 -2.005740269e-02 5.10 -1.815238222e-02 -1.815238222e-02 5.12 -1.636033268e-02 -1.636033268e-02 5.14 -1.467472695e-02 -1.467472695e-02 5.16 -1.308939758e-02 -1.308939758e-02 5.18 -1.159851980e-02 -1.159851980e-02 5.20 -1.019659486e-02 -1.019659486e-02 5.22 -8.878433699e-03 -8.878433699e-03 5.24 -7.639140871e-03 -7.639140871e-03 5.26 -6.474085086e-03 -6.474085086e-03 5.28 -5.379830288e-03 -5.379830288e-03 5.30 -4.372196401e-03 -4.372196401e-03 5.32 -3.868395548e-03 -3.868395548e-03 5.34 -3.408999368e-03 -3.408999368e-03 5.36 -2.980442731e-03 -2.980442731e-03 5.38 -2.577574122e-03 -2.577574122e-03 5.40 -2.198899282e-03 -2.198899282e-03 5.42 -1.843008223e-03 -1.843008223e-03 5.44 -1.508570592e-03 -1.508570592e-03 5.46 -1.194331309e-03 -1.194331309e-03 5.48 -8.991064501e-04 -8.991064501e-04 5.50 -6.217793555e-04 -6.217793555e-04 5.52 -3.612968878e-04 -3.612968878e-04 5.54 -1.150956408e-04 -1.150956408e-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 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00