# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoMg2 # 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 2024-04-11 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 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.552409115e+02 1.16 3.269403857e+02 1.18 3.009850437e+02 1.20 2.771641594e+02 1.22 2.552877357e+02 1.24 2.351845825e+02 1.26 2.167011189e+02 1.28 1.996991177e+02 1.30 1.840530840e+02 1.32 1.696484236e+02 1.34 1.563805413e+02 1.36 1.441544079e+02 1.38 1.328840005e+02 1.40 1.224913840e+02 1.42 1.129055560e+02 1.44 1.040617116e+02 1.46 9.590025433e+01 1.48 8.836530347e+01 1.50 8.140637704e+01 1.52 7.497786262e+01 1.54 6.903842223e+01 1.56 6.355034914e+01 1.58 5.847910530e+01 1.60 5.379294978e+01 1.62 4.946255400e+01 1.64 4.546065868e+01 1.66 4.176186252e+01 1.68 3.834260775e+01 1.70 3.518127080e+01 1.72 3.225813775e+01 1.74 2.955520120e+01 1.76 2.705590064e+01 1.78 2.474495206e+01 1.80 2.260826881e+01 1.82 2.063289976e+01 1.84 1.880693320e+01 1.86 1.711940213e+01 1.88 1.556019564e+01 1.90 1.411997654e+01 1.92 1.279008737e+01 1.94 1.156244699e+01 1.96 1.042946715e+01 1.98 9.384018523e+00 2.00 8.419450125e+00 2.02 7.529627534e+00 2.04 6.708946069e+00 2.06 5.952295748e+00 2.08 5.254991830e+00 2.10 4.612705112e+00 2.12 4.021408182e+00 2.14 3.477344354e+00 2.16 2.977013511e+00 2.18 2.517155668e+00 2.20 2.094698505e+00 2.22 1.706911834e+00 2.24 1.351288801e+00 2.26 1.025501363e+00 2.28 7.273891836e-01 2.30 4.549533603e-01 2.32 2.063403066e-01 2.34 -2.016074722e-02 2.36 -2.260694841e-01 2.38 -4.127837293e-01 2.40 -5.816316167e-01 2.42 -7.338757560e-01 2.44 -8.707139401e-01 2.46 -9.932810856e-01 2.48 -1.102649990e+00 2.50 -1.199833944e+00 2.52 -1.285792205e+00 2.54 -1.361437761e+00 2.56 -1.427644469e+00 2.58 -1.485249459e+00 2.60 -1.535047917e+00 2.62 -1.577780701e+00 2.64 -1.614121303e+00 2.66 -1.644664724e+00 2.68 -1.669928618e+00 2.70 -1.690361767e+00 2.72 -1.706357825e+00 2.74 -1.718269057e+00 2.76 -1.726416922e+00 2.78 -1.731098354e+00 2.80 -1.732590532e+00 2.82 -1.731162676e+00 2.84 -1.727100608e+00 2.86 -1.720575287e+00 2.88 -1.711742987e+00 2.90 -1.700760423e+00 2.92 -1.687785250e+00 2.94 -1.672977532e+00 2.96 -1.656501827e+00 2.98 -1.638514754e+00 3.00 -1.619105768e+00 3.02 -1.598363476e+00 3.04 -1.576402148e+00 3.06 -1.553352848e+00 3.08 -1.529349776e+00 3.10 -1.504522403e+00 3.12 -1.478987974e+00 3.14 -1.452849975e+00 3.16 -1.426196876e+00 3.18 -1.399106446e+00 3.20 -1.371648973e+00 3.22 -1.343890509e+00 3.24 -1.315895229e+00 3.26 -1.287726782e+00 3.28 -1.259448709e+00 3.30 -1.231124038e+00 3.32 -1.202814253e+00 3.34 -1.174577904e+00 3.36 -1.146469212e+00 3.38 -1.118537005e+00 3.40 -1.090824051e+00 3.42 -1.063367753e+00 3.44 -1.036199642e+00 3.46 -1.009346819e+00 3.48 -9.828325031e-01 3.50 -9.566766599e-01 3.52 -9.308964480e-01 3.54 -9.055065032e-01 3.56 -8.805190989e-01 3.58 -8.559442410e-01 3.60 -8.317897530e-01 3.62 -8.080613954e-01 3.64 -7.847630532e-01 3.66 -7.618970095e-01 3.68 -7.394643136e-01 3.70 -7.174652366e-01 3.72 -6.958997928e-01 3.74 -6.747682939e-01 3.76 -6.540718859e-01 3.78 -6.338130050e-01 3.80 -6.139956820e-01 3.82 -5.946256218e-01 3.84 -5.757100033e-01 3.86 -5.572569776e-01 3.88 -5.392749001e-01 3.90 -5.217713910e-01 3.92 -5.047520697e-01 3.94 -4.882209966e-01 3.96 -4.721781112e-01 3.98 -4.566204522e-01 4.00 -4.415419199e-01 4.02 -4.269336941e-01 4.04 -4.127848220e-01 4.06 -3.990828606e-01 4.08 -3.858144862e-01 4.10 -3.729656558e-01 4.12 -3.605234933e-01 4.14 -3.484742076e-01 4.16 -3.368049284e-01 4.18 -3.255033441e-01 4.20 -3.145577202e-01 4.22 -3.039568746e-01 4.24 -2.936901256e-01 4.26 -2.837472249e-01 4.28 -2.741182857e-01 4.30 -2.647937114e-01 4.32 -2.557641292e-01 4.34 -2.470203305e-01 4.36 -2.385532184e-01 4.38 -2.303537623e-01 4.40 -2.224129595e-01 4.42 -2.147218011e-01 4.44 -2.072712439e-01 4.46 -2.000521853e-01 4.48 -1.930554416e-01 4.50 -1.862717314e-01 4.52 -1.796916616e-01 4.54 -1.733057203e-01 4.56 -1.671042766e-01 4.58 -1.610775904e-01 4.60 -1.552158351e-01 4.62 -1.495091381e-01 4.64 -1.439476416e-01 4.66 -1.385215910e-01 4.68 -1.332214535e-01 4.70 -1.280380736e-01 4.72 -1.229628665e-01 4.74 -1.179880522e-01 4.76 -1.131069252e-01 4.78 -1.083141522e-01 4.80 -1.036055474e-01 4.82 -9.898060170e-02 4.84 -9.443922668e-02 4.86 -8.998438054e-02 4.88 -8.562145933e-02 4.90 -8.135817371e-02 4.92 -7.720423778e-02 4.94 -7.317086485e-02 4.96 -6.927007136e-02 4.98 -6.551388626e-02 5.00 -6.191350627e-02 5.02 -5.847849306e-02 5.04 -5.521610046e-02 5.06 -5.213080079e-02 5.08 -4.922404992e-02 5.10 -4.649405199e-02 5.12 -4.393556756e-02 5.14 -4.154230100e-02 5.16 -3.930606454e-02 5.18 -3.721717334e-02 5.20 -3.526501832e-02 5.22 -3.343858598e-02 5.24 -3.172690131e-02 5.26 -3.011938341e-02 5.28 -2.860611432e-02 5.30 -2.717802805e-02 5.32 -2.582702995e-02 5.34 -2.454605724e-02 5.36 -2.332909050e-02 5.38 -2.217112426e-02 5.40 -2.106810331e-02 5.42 -2.001683029e-02 5.44 -1.901484967e-02 5.46 -1.806031402e-02 5.48 -1.715183923e-02 5.50 -1.628835656e-02 5.52 -1.546897021e-02 5.54 -1.469282883e-02 5.56 -1.395901844e-02 5.58 -1.326648202e-02 5.60 -1.261396841e-02 5.62 -1.200000996e-02 5.64 -1.142292590e-02 5.66 -1.088084628e-02 5.68 -1.037175020e-02 5.70 -9.893512254e-03 5.72 -9.443951150e-03 5.74 -9.020876091e-03 5.76 -8.622112691e-03 5.78 -8.245561821e-03 5.80 -7.889226729e-03 5.82 -7.551220262e-03 5.84 -7.229776325e-03 5.86 -6.923255568e-03 5.88 -6.630146547e-03 5.90 -6.349063643e-03 5.92 -6.078742888e-03 5.94 -5.818036689e-03 5.96 -5.565908278e-03 5.98 -5.321426503e-03 6.00 -5.083761439e-03