# 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 = AgAuPd2 # 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 8.600743717e+02 8.600743717e+02 1.00 7.884173246e+02 7.884173246e+02 1.02 7.235239433e+02 7.235239433e+02 1.04 6.646835188e+02 6.646835188e+02 1.06 6.112658355e+02 6.112658355e+02 1.08 5.627092015e+02 5.627092015e+02 1.10 5.185177533e+02 5.185177533e+02 1.12 4.782482447e+02 4.782482447e+02 1.14 4.415055353e+02 4.415055353e+02 1.16 4.079387574e+02 4.079387574e+02 1.18 3.772339701e+02 3.772339701e+02 1.20 3.491111865e+02 3.491111865e+02 1.22 3.233196416e+02 3.233196416e+02 1.24 2.996374147e+02 2.996374147e+02 1.26 2.778647997e+02 2.778647997e+02 1.28 2.578231870e+02 2.578231870e+02 1.30 2.393514452e+02 2.393514452e+02 1.32 2.223071735e+02 2.223071735e+02 1.34 2.065621881e+02 2.065621881e+02 1.36 1.920010908e+02 1.920010908e+02 1.38 1.785205939e+02 1.785205939e+02 1.40 1.660274348e+02 1.660274348e+02 1.42 1.544372837e+02 1.544372837e+02 1.44 1.436752166e+02 1.436752166e+02 1.46 1.336728613e+02 1.336728613e+02 1.48 1.243686374e+02 1.243686374e+02 1.50 1.157070533e+02 1.157070533e+02 1.52 1.076376341e+02 1.076376341e+02 1.54 1.001143513e+02 1.001143513e+02 1.56 9.309527630e+01 9.309527630e+01 1.58 8.654243961e+01 8.654243961e+01 1.60 8.042194991e+01 8.042194991e+01 1.62 7.470197546e+01 7.470197546e+01 1.64 6.935392283e+01 6.935392283e+01 1.66 6.435148414e+01 6.435148414e+01 1.68 5.967044972e+01 5.967044972e+01 1.70 5.528855189e+01 5.528855189e+01 1.72 5.118523690e+01 5.118523690e+01 1.74 4.734169036e+01 4.734169036e+01 1.76 4.374048655e+01 4.374048655e+01 1.78 4.036511337e+01 4.036511337e+01 1.80 3.720088926e+01 3.720088926e+01 1.82 3.423422027e+01 3.423422027e+01 1.84 3.143720422e+01 3.143720422e+01 1.86 2.882682737e+01 2.882682737e+01 1.88 2.637667819e+01 2.637667819e+01 1.90 2.408357510e+01 2.408357510e+01 1.92 2.193686238e+01 2.193686238e+01 1.94 1.992827499e+01 1.992827499e+01 1.96 1.805003023e+01 1.805003023e+01 1.98 1.629467178e+01 1.629467178e+01 2.00 1.465537867e+01 1.465537867e+01 2.02 1.312562721e+01 1.312562721e+01 2.04 1.169924136e+01 1.169924136e+01 2.06 1.037031979e+01 1.037031979e+01 2.08 9.133272199e+00 9.133272199e+00 2.10 7.982967403e+00 7.982967403e+00 2.12 6.914138727e+00 6.914138727e+00 2.14 5.922275455e+00 5.922275455e+00 2.16 5.002946650e+00 5.002946650e+00 2.18 4.151962694e+00 4.151962694e+00 2.20 3.365432025e+00 3.365432025e+00 2.22 2.639483881e+00 2.639483881e+00 2.24 1.970560651e+00 1.970560651e+00 2.26 1.355269523e+00 1.355269523e+00 2.28 7.903642450e-01 7.903642450e-01 2.30 2.728056563e-01 2.728056563e-01 2.32 -2.004391441e-01 -2.004391441e-01 2.34 -6.320956307e-01 -6.320956307e-01 2.36 -1.024729846e+00 -1.024729846e+00 2.38 -1.380842316e+00 -1.380842316e+00 2.40 -1.702846418e+00 -1.702846418e+00 2.42 -1.992854420e+00 -1.992854420e+00 2.44 -2.252710161e+00 -2.252710161e+00 2.46 -2.484829911e+00 -2.484829911e+00 2.48 -2.691124366e+00 -2.691124366e+00 2.50 -2.873398879e+00 -2.873398879e+00 2.52 -3.033358827e+00 -3.033358827e+00 2.54 -3.172613912e+00 -3.172613912e+00 2.56 -3.292682323e+00 -3.292682323e+00 2.58 -3.394994681e+00 -3.394994681e+00 2.60 -3.480876510e+00 -3.480876510e+00 2.62 -3.551550601e+00 -3.551550601e+00 2.64 -3.608222173e+00 -3.608222173e+00 2.66 -3.652221908e+00 -3.652221908e+00 2.68 -3.684602366e+00 -3.684602366e+00 2.70 -3.705753951e+00 -3.705753951e+00 2.72 -3.716936205e+00 -3.716936205e+00 2.74 -3.719115675e+00 -3.719115675e+00 2.76 -3.713093150e+00 -3.713093150e+00 2.78 -3.700218438e+00 -3.700218438e+00 2.80 -3.681001730e+00 -3.681001730e+00 2.82 -3.655664052e+00 -3.655664052e+00 2.84 -3.624813541e+00 -3.624813541e+00 2.86 -3.589017171e+00 -3.589017171e+00 2.88 -3.548802004e+00 -3.548802004e+00 2.90 -3.504690887e+00 -3.504690887e+00 2.92 -3.457470399e+00 -3.457470399e+00 2.94 -3.407166127e+00 -3.407166127e+00 2.96 -3.354169291e+00 -3.354169291e+00 2.98 -3.298841393e+00 -3.298841393e+00 3.00 -3.241512915e+00 -3.241512915e+00 3.02 -3.182352501e+00 -3.182352501e+00 3.04 -3.121621478e+00 -3.121621478e+00 3.06 -3.059807541e+00 -3.059807541e+00 3.08 -2.995674890e+00 -2.995674890e+00 3.10 -2.930743367e+00 -2.930743367e+00 3.12 -2.865434152e+00 -2.865434152e+00 3.14 -2.799917055e+00 -2.799917055e+00 3.16 -2.734355366e+00 -2.734355366e+00 3.18 -2.668895650e+00 -2.668895650e+00 3.20 -2.603670378e+00 -2.603670378e+00 3.22 -2.538799050e+00 -2.538799050e+00 3.24 -2.474377990e+00 -2.474377990e+00 3.26 -2.411083400e+00 -2.411083400e+00 3.28 -2.348595328e+00 -2.348595328e+00 3.30 -2.286789672e+00 -2.286789672e+00 3.32 -2.225735029e+00 -2.225735029e+00 3.34 -2.165492793e+00 -2.165492793e+00 3.36 -2.106117015e+00 -2.106117015e+00 3.38 -2.047654343e+00 -2.047654343e+00 3.40 -1.990162456e+00 -1.990162456e+00 3.42 -1.933886461e+00 -1.933886461e+00 3.44 -1.878614985e+00 -1.878614985e+00 3.46 -1.824373118e+00 -1.824373118e+00 3.48 -1.771181374e+00 -1.771181374e+00 3.50 -1.719056216e+00 -1.719056216e+00 3.52 -1.668009742e+00 -1.668009742e+00 3.54 -1.618050601e+00 -1.618050601e+00 3.56 -1.569183177e+00 -1.569183177e+00 3.58 -1.521418595e+00 -1.521418595e+00 3.60 -1.474748348e+00 -1.474748348e+00 3.62 -1.429165032e+00 -1.429165032e+00 3.64 -1.384674164e+00 -1.384674164e+00 3.66 -1.341255593e+00 -1.341255593e+00 3.68 -1.298809677e+00 -1.298809677e+00 3.70 -1.257249123e+00 -1.257249123e+00 3.72 -1.216584518e+00 -1.216584518e+00 3.74 -1.176893351e+00 -1.176893351e+00 3.76 -1.138243321e+00 -1.138243321e+00 3.78 -1.100646943e+00 -1.100646943e+00 3.80 -1.064078654e+00 -1.064078654e+00 3.82 -1.028519387e+00 -1.028519387e+00 3.84 -9.939368734e-01 -9.939368734e-01 3.86 -9.602980342e-01 -9.602980342e-01 3.88 -9.275902432e-01 -9.275902432e-01 3.90 -8.958101932e-01 -8.958101932e-01 3.92 -8.649543644e-01 -8.649543644e-01 3.94 -8.349914032e-01 -8.349914032e-01 3.96 -8.058119236e-01 -8.058119236e-01 3.98 -7.773241366e-01 -7.773241366e-01 4.00 -7.496240552e-01 -7.496240552e-01 4.02 -7.227918468e-01 -7.227918468e-01 4.04 -6.968850559e-01 -6.968850559e-01 4.06 -6.719423909e-01 -6.719423909e-01 4.08 -6.479869656e-01 -6.479869656e-01 4.10 -6.250755474e-01 -6.250755474e-01 4.12 -6.033113978e-01 -6.033113978e-01 4.14 -5.825126528e-01 -5.825126528e-01 4.16 -5.624059162e-01 -5.624059162e-01 4.18 -5.427848132e-01 -5.427848132e-01 4.20 -5.234977000e-01 -5.234977000e-01 4.22 -5.044370867e-01 -5.044370867e-01 4.24 -4.855307829e-01 -4.855307829e-01 4.26 -4.667345117e-01 -4.667345117e-01 4.28 -4.480257743e-01 -4.480257743e-01 4.30 -4.293987771e-01 -4.293987771e-01 4.32 -4.108602599e-01 -4.108602599e-01 4.34 -3.924074174e-01 -3.924074174e-01 4.36 -3.740302041e-01 -3.740302041e-01 4.38 -3.557598721e-01 -3.557598721e-01 4.40 -3.377180867e-01 -3.377180867e-01 4.42 -3.200173643e-01 -3.200173643e-01 4.44 -3.027449283e-01 -3.027449283e-01 4.46 -2.859669022e-01 -2.859669022e-01 4.48 -2.697318754e-01 -2.697318754e-01 4.50 -2.540739286e-01 -2.540739286e-01 4.52 -2.390151989e-01 -2.390151989e-01 4.54 -2.245680489e-01 -2.245680489e-01 4.56 -2.107367575e-01 -2.107367575e-01 4.58 -1.975074991e-01 -1.975074991e-01 4.60 -1.852108533e-01 -1.852108533e-01 4.62 -1.738036810e-01 -1.738036810e-01 4.64 -1.629318672e-01 -1.629318672e-01 4.66 -1.525918291e-01 -1.525918291e-01 4.68 -1.427667285e-01 -1.427667285e-01 4.70 -1.334385287e-01 -1.334385287e-01 4.72 -1.245884338e-01 -1.245884338e-01 4.74 -1.161972098e-01 -1.161972098e-01 4.76 -1.082454452e-01 -1.082454452e-01 4.78 -1.007137611e-01 -1.007137611e-01 4.80 -9.357472318e-02 -9.357472318e-02 4.82 -8.706201313e-02 -8.706201313e-02 4.84 -8.099182390e-02 -8.099182390e-02 4.86 -7.524370937e-02 -7.524370937e-02 4.88 -6.980190026e-02 -6.980190026e-02 4.90 -6.465117937e-02 -6.465117937e-02 4.92 -5.977690127e-02 -5.977690127e-02 4.94 -5.516500350e-02 -5.516500350e-02 4.96 -5.080201001e-02 -5.080201001e-02 4.98 -4.667502900e-02 -4.667502900e-02 5.00 -4.277174612e-02 -4.277174612e-02 5.02 -3.908041464e-02 -3.908041464e-02 5.04 -3.558984250e-02 -3.558984250e-02 5.06 -3.228937623e-02 -3.228937623e-02 5.08 -2.916888421e-02 -2.916888421e-02 5.10 -2.621873866e-02 -2.621873866e-02 5.12 -2.342979700e-02 -2.342979700e-02 5.14 -2.079338253e-02 -2.079338253e-02 5.16 -1.830126480e-02 -1.830126480e-02 5.18 -1.594564028e-02 -1.594564028e-02 5.20 -1.371911319e-02 -1.371911319e-02 5.22 -1.161467683e-02 -1.161467683e-02 5.24 -9.625694744e-03 -9.625694744e-03 5.26 -7.745850694e-03 -7.745850694e-03 5.28 -5.971293098e-03 -5.971293098e-03 5.30 -4.341834031e-03 -4.341834031e-03 5.32 -3.817867702e-03 -3.817867702e-03 5.34 -3.358333369e-03 -3.358333369e-03 5.36 -2.934377453e-03 -2.934377453e-03 5.38 -2.536240471e-03 -2.536240471e-03 5.40 -2.162392137e-03 -2.162392137e-03 5.42 -1.811390286e-03 -1.811390286e-03 5.44 -1.481875930e-03 -1.481875930e-03 5.46 -1.172568614e-03 -1.172568614e-03 5.48 -8.822620288e-04 -8.822620288e-04 5.50 -6.098198664e-04 -6.098198664e-04 5.52 -3.541718417e-04 -3.541718417e-04 5.54 -1.127721724e-04 -1.127721724e-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