# 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 = Cu2Pd # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 5.246520452e+02 0.86 4.747104035e+02 0.88 4.298801918e+02 0.90 3.895915424e+02 0.92 3.533485686e+02 0.94 3.207078042e+02 0.96 2.912878866e+02 0.98 2.647528942e+02 1.00 2.408061238e+02 1.02 2.191785983e+02 1.04 1.996353221e+02 1.06 1.819602002e+02 1.08 1.659709500e+02 1.10 1.514997988e+02 1.12 1.383944454e+02 1.14 1.265163722e+02 1.16 1.157368202e+02 1.18 1.059508395e+02 1.20 9.705851703e+01 1.22 8.897040228e+01 1.24 8.161064535e+01 1.26 7.490615222e+01 1.28 6.879374555e+01 1.30 6.321237071e+01 1.32 5.811065900e+01 1.34 5.344516590e+01 1.36 4.917300280e+01 1.38 4.525464218e+01 1.40 4.165976783e+01 1.42 3.835716940e+01 1.44 3.531806242e+01 1.46 3.251909376e+01 1.48 2.994041447e+01 1.50 2.756228663e+01 1.52 2.536659555e+01 1.54 2.333652499e+01 1.56 2.145857802e+01 1.58 1.971879306e+01 1.60 1.811089636e+01 1.62 1.662317088e+01 1.64 1.524614922e+01 1.66 1.393017740e+01 1.68 1.272152692e+01 1.70 1.157401270e+01 1.72 1.048515315e+01 1.74 9.452915966e+00 1.76 8.474226774e+00 1.78 7.547329500e+00 1.80 6.672587489e+00 1.82 5.848767348e+00 1.84 5.074331234e+00 1.86 4.347712829e+00 1.88 3.667244163e+00 1.90 3.031183988e+00 1.92 2.437675829e+00 1.94 1.883588141e+00 1.96 1.369142193e+00 1.98 8.922356397e-01 2.00 4.511469595e-01 2.02 4.495167102e-02 2.04 -3.274474043e-01 2.06 -6.694111229e-01 2.08 -9.825694584e-01 2.10 -1.268516220e+00 2.12 -1.529104244e+00 2.14 -1.765609523e+00 2.16 -1.979751936e+00 2.18 -2.172217572e+00 2.20 -2.344607877e+00 2.22 -2.498231335e+00 2.24 -2.633504644e+00 2.26 -2.752310322e+00 2.28 -2.855942709e+00 2.30 -2.945485409e+00 2.32 -3.022001257e+00 2.34 -3.086324355e+00 2.36 -3.139344535e+00 2.38 -3.181902384e+00 2.40 -3.214791015e+00 2.42 -3.238757893e+00 2.44 -3.254506236e+00 2.46 -3.262608586e+00 2.48 -3.263711713e+00 2.50 -3.258987382e+00 2.52 -3.248421196e+00 2.54 -3.232535634e+00 2.56 -3.211792135e+00 2.58 -3.184914997e+00 2.60 -3.155082543e+00 2.62 -3.122115234e+00 2.64 -3.085994759e+00 2.66 -3.047053117e+00 2.68 -3.005599955e+00 2.70 -2.961923757e+00 2.72 -2.916292952e+00 2.74 -2.868957090e+00 2.76 -2.820149830e+00 2.78 -2.770440216e+00 2.80 -2.719874181e+00 2.82 -2.668397139e+00 2.84 -2.616175875e+00 2.86 -2.563442483e+00 2.88 -2.509615605e+00 2.90 -2.455199097e+00 2.92 -2.400659801e+00 2.94 -2.346108489e+00 2.96 -2.291646871e+00 2.98 -2.237367950e+00 3.00 -2.183356253e+00 3.02 -2.129694918e+00 3.04 -2.077055914e+00 3.06 -2.025686677e+00 3.08 -1.974776232e+00 3.10 -1.924386334e+00 3.12 -1.874574215e+00 3.14 -1.825398755e+00 3.16 -1.776831460e+00 3.18 -1.728861310e+00 3.20 -1.681410537e+00 3.22 -1.634414872e+00 3.24 -1.588054086e+00 3.26 -1.542940847e+00 3.28 -1.498807297e+00 3.30 -1.455475336e+00 3.32 -1.412950218e+00 3.34 -1.371245693e+00 3.36 -1.330370335e+00 3.38 -1.290326580e+00 3.40 -1.251115470e+00 3.42 -1.212741425e+00 3.44 -1.175206473e+00 3.46 -1.138500475e+00 3.48 -1.102619436e+00 3.50 -1.067564405e+00 3.52 -1.033320569e+00 3.54 -9.998398263e-01 3.56 -9.670829988e-01 3.58 -9.350351398e-01 3.60 -9.037238227e-01 3.62 -8.731696888e-01 3.64 -8.434014808e-01 3.66 -8.144174649e-01 3.68 -7.862041986e-01 3.70 -7.587510761e-01 3.72 -7.319696682e-01 3.74 -7.058414043e-01 3.76 -6.803997005e-01 3.78 -6.556721753e-01 3.80 -6.316785615e-01 3.82 -6.084317059e-01 3.84 -5.859385847e-01 3.86 -5.641962377e-01 3.88 -5.432656776e-01 3.90 -5.230468346e-01 3.92 -5.034297391e-01 3.94 -4.843300101e-01 3.96 -4.656841327e-01 3.98 -4.474454792e-01 4.00 -4.295820956e-01 4.02 -4.120986620e-01 4.04 -3.949580034e-01 4.06 -3.781149340e-01 4.08 -3.615389913e-01 4.10 -3.452099629e-01 4.12 -3.290661875e-01 4.14 -3.131300962e-01 4.16 -2.974611218e-01 4.18 -2.821073243e-01 4.20 -2.671070084e-01 4.22 -2.524901249e-01 4.24 -2.382794869e-01 4.26 -2.244791871e-01 4.28 -2.110230864e-01 4.30 -1.993759479e-01 4.32 -1.887100630e-01 4.34 -1.784136521e-01 4.36 -1.685061451e-01 4.38 -1.589886222e-01 4.40 -1.498590503e-01 4.42 -1.411128942e-01 4.44 -1.327436096e-01 4.46 -1.247430603e-01 4.48 -1.171018733e-01 4.50 -1.098097375e-01 4.52 -1.028556552e-01 4.54 -9.622815235e-02 4.56 -8.991545375e-02 4.58 -8.390562931e-02 4.60 -7.818671264e-02 4.62 -7.274679887e-02 4.64 -6.757412377e-02 4.66 -6.265712690e-02 4.68 -5.798450148e-02 4.70 -5.354523270e-02 4.72 -4.932862695e-02 4.74 -4.532433312e-02 4.76 -4.152235645e-02 4.78 -3.791306755e-02 4.80 -3.448720683e-02 4.82 -3.123588507e-02 4.84 -2.815058102e-02 4.86 -2.522313646e-02 4.88 -2.244574988e-02 4.90 -1.981096788e-02 4.92 -1.731134119e-02 4.94 -1.490932437e-02 4.96 -1.317805941e-02 4.98 -1.204840914e-02 5.00 -1.095511644e-02 5.02 -9.918544428e-03 5.04 -8.935983390e-03 5.06 -8.004704101e-03 5.08 -7.122109887e-03 5.10 -6.285730688e-03 5.12 -5.493217322e-03 5.14 -4.742335945e-03 5.16 -4.030962723e-03 5.18 -3.357078699e-03 5.20 -2.718764866e-03 5.22 -2.114197430e-03 5.24 -1.541643282e-03 5.26 -9.994556603e-04 5.28 -4.863850868e-04 5.30 -7.623927211e-16 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00