# 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 = Ni2PdPt # 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 7.709301816e+02 7.709301816e+02 0.98 7.002246252e+02 7.002246252e+02 1.00 6.363219120e+02 6.363219120e+02 1.02 5.785401054e+02 5.785401054e+02 1.04 5.262762941e+02 5.262762941e+02 1.06 4.789895584e+02 4.789895584e+02 1.08 4.361864760e+02 4.361864760e+02 1.10 3.974339085e+02 3.974339085e+02 1.12 3.623307084e+02 3.623307084e+02 1.14 3.305185343e+02 3.305185343e+02 1.16 3.016806019e+02 3.016806019e+02 1.18 2.755270305e+02 2.755270305e+02 1.20 2.517958255e+02 2.517958255e+02 1.22 2.302475093e+02 2.302475093e+02 1.24 2.106749345e+02 2.106749345e+02 1.26 1.928845514e+02 1.928845514e+02 1.28 1.767025539e+02 1.767025539e+02 1.30 1.619718194e+02 1.619718194e+02 1.32 1.485525933e+02 1.485525933e+02 1.34 1.363178711e+02 1.363178711e+02 1.36 1.251553388e+02 1.251553388e+02 1.38 1.149618361e+02 1.149618361e+02 1.40 1.056422116e+02 1.056422116e+02 1.42 9.711378786e+01 9.711378786e+01 1.44 8.930354733e+01 8.930354733e+01 1.46 8.214360145e+01 8.214360145e+01 1.48 7.557242880e+01 7.557242880e+01 1.50 6.953552093e+01 6.953552093e+01 1.52 6.398431922e+01 6.398431922e+01 1.54 5.887455351e+01 5.887455351e+01 1.56 5.416507430e+01 5.416507430e+01 1.58 4.981989143e+01 4.981989143e+01 1.60 4.580858738e+01 4.580858738e+01 1.62 4.210241932e+01 4.210241932e+01 1.64 3.867452846e+01 3.867452846e+01 1.66 3.550123344e+01 3.550123344e+01 1.68 3.256118814e+01 3.256118814e+01 1.70 2.983479138e+01 2.983479138e+01 1.72 2.730316300e+01 2.730316300e+01 1.74 2.495258783e+01 2.495258783e+01 1.76 2.276868986e+01 2.276868986e+01 1.78 2.073728319e+01 2.073728319e+01 1.80 1.884965900e+01 1.884965900e+01 1.82 1.709452265e+01 1.709452265e+01 1.84 1.546700505e+01 1.546700505e+01 1.86 1.391907151e+01 1.391907151e+01 1.88 1.249031800e+01 1.249031800e+01 1.90 1.113742283e+01 1.113742283e+01 1.92 9.858746928e+00 9.858746928e+00 1.94 8.652269094e+00 8.652269094e+00 1.96 7.515947256e+00 7.515947256e+00 1.98 6.447741338e+00 6.447741338e+00 2.00 5.445522975e+00 5.445522975e+00 2.02 4.507089132e+00 4.507089132e+00 2.04 3.630177402e+00 3.630177402e+00 2.06 2.812418049e+00 2.812418049e+00 2.08 2.051366708e+00 2.051366708e+00 2.10 1.344511004e+00 1.344511004e+00 2.12 6.904456967e-01 6.904456967e-01 2.14 8.615911605e-02 8.615911605e-02 2.16 -4.706709969e-01 -4.706709969e-01 2.18 -9.823072780e-01 -9.823072780e-01 2.20 -1.450976579e+00 -1.450976579e+00 2.22 -1.878863027e+00 -1.878863027e+00 2.24 -2.268095224e+00 -2.268095224e+00 2.26 -2.620547085e+00 -2.620547085e+00 2.28 -2.938436372e+00 -2.938436372e+00 2.30 -3.223765964e+00 -3.223765964e+00 2.32 -3.478516585e+00 -3.478516585e+00 2.34 -3.704339167e+00 -3.704339167e+00 2.36 -3.902718306e+00 -3.902718306e+00 2.38 -4.075774072e+00 -4.075774072e+00 2.40 -4.224964695e+00 -4.224964695e+00 2.42 -4.352440662e+00 -4.352440662e+00 2.44 -4.459377274e+00 -4.459377274e+00 2.46 -4.547231774e+00 -4.547231774e+00 2.48 -4.617405906e+00 -4.617405906e+00 2.50 -4.671235540e+00 -4.671235540e+00 2.52 -4.710611424e+00 -4.710611424e+00 2.54 -4.736509514e+00 -4.736509514e+00 2.56 -4.749728239e+00 -4.749728239e+00 2.58 -4.751347771e+00 -4.751347771e+00 2.60 -4.742390950e+00 -4.742390950e+00 2.62 -4.723823159e+00 -4.723823159e+00 2.64 -4.696381018e+00 -4.696381018e+00 2.66 -4.661176877e+00 -4.661176877e+00 2.68 -4.619119910e+00 -4.619119910e+00 2.70 -4.570762501e+00 -4.570762501e+00 2.72 -4.516811174e+00 -4.516811174e+00 2.74 -4.457161587e+00 -4.457161587e+00 2.76 -4.392974258e+00 -4.392974258e+00 2.78 -4.325473209e+00 -4.325473209e+00 2.80 -4.254985337e+00 -4.254985337e+00 2.82 -4.181696239e+00 -4.181696239e+00 2.84 -4.106044459e+00 -4.106044459e+00 2.86 -4.028441220e+00 -4.028441220e+00 2.88 -3.948503847e+00 -3.948503847e+00 2.90 -3.867270330e+00 -3.867270330e+00 2.92 -3.785142558e+00 -3.785142558e+00 2.94 -3.702427154e+00 -3.702427154e+00 2.96 -3.619943287e+00 -3.619943287e+00 2.98 -3.536863164e+00 -3.536863164e+00 3.00 -3.453409221e+00 -3.453409221e+00 3.02 -3.370232903e+00 -3.370232903e+00 3.04 -3.287493263e+00 -3.287493263e+00 3.06 -3.205336965e+00 -3.205336965e+00 3.08 -3.123893348e+00 -3.123893348e+00 3.10 -3.043276603e+00 -3.043276603e+00 3.12 -2.963587076e+00 -2.963587076e+00 3.14 -2.884912442e+00 -2.884912442e+00 3.16 -2.807328817e+00 -2.807328817e+00 3.18 -2.730901785e+00 -2.730901785e+00 3.20 -2.655687304e+00 -2.655687304e+00 3.22 -2.581732570e+00 -2.581732570e+00 3.24 -2.509071531e+00 -2.509071531e+00 3.26 -2.438381529e+00 -2.438381529e+00 3.28 -2.369243992e+00 -2.369243992e+00 3.30 -2.301436676e+00 -2.301436676e+00 3.32 -2.234977092e+00 -2.234977092e+00 3.34 -2.169877703e+00 -2.169877703e+00 3.36 -2.106145085e+00 -2.106145085e+00 3.38 -2.043778576e+00 -2.043778576e+00 3.40 -1.982806900e+00 -1.982806900e+00 3.42 -1.923250837e+00 -1.923250837e+00 3.44 -1.864932088e+00 -1.864932088e+00 3.46 -1.807668342e+00 -1.807668342e+00 3.48 -1.751541941e+00 -1.751541941e+00 3.50 -1.696698364e+00 -1.696698364e+00 3.52 -1.643154381e+00 -1.643154381e+00 3.54 -1.590869730e+00 -1.590869730e+00 3.56 -1.539805700e+00 -1.539805700e+00 3.58 -1.489984030e+00 -1.489984030e+00 3.60 -1.441435710e+00 -1.441435710e+00 3.62 -1.394162112e+00 -1.394162112e+00 3.64 -1.348131687e+00 -1.348131687e+00 3.66 -1.303322225e+00 -1.303322225e+00 3.68 -1.259705392e+00 -1.259705392e+00 3.70 -1.217243529e+00 -1.217243529e+00 3.72 -1.175918113e+00 -1.175918113e+00 3.74 -1.135716330e+00 -1.135716330e+00 3.76 -1.096612405e+00 -1.096612405e+00 3.78 -1.058584897e+00 -1.058584897e+00 3.80 -1.021538860e+00 -1.021538860e+00 3.82 -9.854847982e-01 -9.854847982e-01 3.84 -9.504287802e-01 -9.504287802e-01 3.86 -9.163829613e-01 -9.163829613e-01 3.88 -8.833648111e-01 -8.833648111e-01 3.90 -8.513845013e-01 -8.513845013e-01 3.92 -8.204826924e-01 -8.204826924e-01 3.94 -7.906291224e-01 -7.906291224e-01 3.96 -7.615494574e-01 -7.615494574e-01 3.98 -7.331960386e-01 -7.331960386e-01 4.00 -7.055507029e-01 -7.055507029e-01 4.02 -6.786055370e-01 -6.786055370e-01 4.04 -6.523595809e-01 -6.523595809e-01 4.06 -6.268162520e-01 -6.268162520e-01 4.08 -6.019847294e-01 -6.019847294e-01 4.10 -5.780064347e-01 -5.780064347e-01 4.12 -5.547698769e-01 -5.547698769e-01 4.14 -5.320317564e-01 -5.320317564e-01 4.16 -5.097845637e-01 -5.097845637e-01 4.18 -4.885860929e-01 -4.885860929e-01 4.20 -4.677193778e-01 -4.677193778e-01 4.22 -4.471843614e-01 -4.471843614e-01 4.24 -4.269830980e-01 -4.269830980e-01 4.26 -4.071221668e-01 -4.071221668e-01 4.28 -3.876108326e-01 -3.876108326e-01 4.30 -3.684601284e-01 -3.684601284e-01 4.32 -3.496820891e-01 -3.496820891e-01 4.34 -3.312725263e-01 -3.312725263e-01 4.36 -3.131895206e-01 -3.131895206e-01 4.38 -2.955112804e-01 -2.955112804e-01 4.40 -2.783118640e-01 -2.783118640e-01 4.42 -2.616466269e-01 -2.616466269e-01 4.44 -2.455553649e-01 -2.455553649e-01 4.46 -2.300649953e-01 -2.300649953e-01 4.48 -2.151918293e-01 -2.151918293e-01 4.50 -2.009435028e-01 -2.009435028e-01 4.52 -1.873206108e-01 -1.873206108e-01 4.54 -1.743180861e-01 -1.743180861e-01 4.56 -1.619263629e-01 -1.619263629e-01 4.58 -1.501341254e-01 -1.501341254e-01 4.60 -1.392942595e-01 -1.392942595e-01 4.62 -1.293522609e-01 -1.293522609e-01 4.64 -1.199082085e-01 -1.199082085e-01 4.66 -1.109447797e-01 -1.109447797e-01 4.68 -1.024438953e-01 -1.024438953e-01 4.70 -9.438702903e-02 -9.438702903e-02 4.72 -8.675546048e-02 -8.675546048e-02 4.74 -7.953047905e-02 -7.953047905e-02 4.76 -7.269354920e-02 -7.269354920e-02 4.78 -6.623443332e-02 -6.623443332e-02 4.80 -6.017728463e-02 -6.017728463e-02 4.82 -5.572698852e-02 -5.572698852e-02 4.84 -5.157263264e-02 -5.157263264e-02 4.86 -4.764838390e-02 -4.764838390e-02 4.88 -4.393909989e-02 -4.393909989e-02 4.90 -4.043391638e-02 -4.043391638e-02 4.92 -3.712236593e-02 -3.712236593e-02 4.94 -3.399439137e-02 -3.399439137e-02 4.96 -3.104035286e-02 -3.104035286e-02 4.98 -2.825102959e-02 -2.825102959e-02 5.00 -2.561761740e-02 -2.561761740e-02 5.02 -2.313172298e-02 -2.313172298e-02 5.04 -2.078535551e-02 -2.078535551e-02 5.06 -1.857091624e-02 -1.857091624e-02 5.08 -1.648118662e-02 -1.648118662e-02 5.10 -1.450931530e-02 -1.450931530e-02 5.12 -1.264880450e-02 -1.264880450e-02 5.14 -1.089349585e-02 -1.089349585e-02 5.16 -9.237556015e-03 -9.237556015e-03 5.18 -7.675462366e-03 -7.675462366e-03 5.20 -6.201988633e-03 -6.201988633e-03 5.22 -4.812190837e-03 -4.812190837e-03 5.24 -3.501393527e-03 -3.501393527e-03 5.26 -2.265176402e-03 -2.265176402e-03 5.28 -1.100072757e-03 -1.100072757e-03 5.30 -1.716689458e-15 -1.716997926e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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 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