# 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 = Mg2Pt # 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 4.201808370e+02 1.16 3.883215461e+02 1.18 3.589913868e+02 1.20 3.319587801e+02 1.22 3.070088826e+02 1.24 2.839537997e+02 1.26 2.626290835e+02 1.28 2.428865744e+02 1.30 2.245922986e+02 1.32 2.076288688e+02 1.34 1.918967421e+02 1.36 1.773095281e+02 1.38 1.637856106e+02 1.40 1.512427239e+02 1.42 1.395982678e+02 1.44 1.287731763e+02 1.46 1.186963489e+02 1.48 1.093073695e+02 1.50 1.005599827e+02 1.52 9.248455376e+01 1.54 8.505726314e+01 1.56 7.822528359e+01 1.58 7.193844989e+01 1.60 6.614946220e+01 1.62 6.081422434e+01 1.64 5.589242279e+01 1.66 5.134828839e+01 1.68 4.715107410e+01 1.70 4.327471309e+01 1.72 3.969662756e+01 1.74 3.639620714e+01 1.76 3.335363683e+01 1.78 3.054949074e+01 1.80 2.796499143e+01 1.82 2.558248359e+01 1.84 2.338574222e+01 1.86 2.135999569e+01 1.88 1.949172096e+01 1.90 1.776835865e+01 1.92 1.617809671e+01 1.94 1.470981987e+01 1.96 1.335324412e+01 1.98 1.209911700e+01 2.00 1.093932690e+01 2.02 9.866831683e+00 2.04 8.875446197e+00 2.06 7.959589681e+00 2.08 7.114075586e+00 2.10 6.333982634e+00 2.12 5.614601409e+00 2.14 4.951442384e+00 2.16 4.340276912e+00 2.18 3.776335132e+00 2.20 3.254677768e+00 2.22 2.772654811e+00 2.24 2.327842708e+00 2.26 1.917985798e+00 2.28 1.540994431e+00 2.30 1.194942877e+00 2.32 8.780513934e-01 2.34 5.886669908e-01 2.36 3.252362156e-01 2.38 8.627985756e-02 2.40 -1.296311059e-01 2.42 -3.238999289e-01 2.44 -4.979274990e-01 2.46 -6.531387757e-01 2.48 -7.910051982e-01 2.50 -9.130564293e-01 2.52 -1.020870597e+00 2.54 -1.116035231e+00 2.56 -1.200080918e+00 2.58 -1.274402965e+00 2.60 -1.340194660e+00 2.62 -1.398412051e+00 2.64 -1.449779229e+00 2.66 -1.494820989e+00 2.68 -1.533914516e+00 2.70 -1.567338781e+00 2.72 -1.595314582e+00 2.74 -1.618031717e+00 2.76 -1.635664854e+00 2.78 -1.648381627e+00 2.80 -1.656349133e+00 2.82 -1.659737244e+00 2.84 -1.658728340e+00 2.86 -1.653528670e+00 2.88 -1.644383226e+00 2.90 -1.631591455e+00 2.92 -1.615519999e+00 2.94 -1.596612720e+00 2.96 -1.575495429e+00 2.98 -1.552926409e+00 3.00 -1.529620622e+00 3.02 -1.506198660e+00 3.04 -1.483150673e+00 3.06 -1.460820175e+00 3.08 -1.439404834e+00 3.10 -1.419005588e+00 3.12 -1.399610370e+00 3.14 -1.381109386e+00 3.16 -1.363366392e+00 3.18 -1.346241756e+00 3.20 -1.329606222e+00 3.22 -1.313348810e+00 3.24 -1.297379953e+00 3.26 -1.281631436e+00 3.28 -1.266053995e+00 3.30 -1.250598101e+00 3.32 -1.235193376e+00 3.34 -1.219783706e+00 3.36 -1.204327809e+00 3.38 -1.188795604e+00 3.40 -1.173165458e+00 3.42 -1.157422845e+00 3.44 -1.141558554e+00 3.46 -1.125568415e+00 3.48 -1.109452557e+00 3.50 -1.093214818e+00 3.52 -1.076862109e+00 3.54 -1.060403748e+00 3.56 -1.043850793e+00 3.58 -1.027215407e+00 3.60 -1.010510293e+00 3.62 -9.937482341e-01 3.64 -9.769417333e-01 3.66 -9.601027970e-01 3.68 -9.432428483e-01 3.70 -9.263727858e-01 3.72 -9.095031760e-01 3.74 -8.926445665e-01 3.76 -8.758078825e-01 3.78 -8.590048549e-01 3.80 -8.422484093e-01 3.82 -8.255529342e-01 3.84 -8.089343495e-01 3.86 -7.924099247e-01 3.88 -7.759978343e-01 3.90 -7.597165016e-01 3.92 -7.435835997e-01 3.94 -7.276162488e-01 3.96 -7.118288866e-01 3.98 -6.962339357e-01 4.00 -6.808413666e-01 4.02 -6.656587681e-01 4.04 -6.506915754e-01 4.06 -6.359433802e-01 4.08 -6.214162583e-01 4.10 -6.071109138e-01 4.12 -5.930275390e-01 4.14 -5.791649850e-01 4.16 -5.655215644e-01 4.18 -5.520949014e-01 4.20 -5.388819252e-01 4.22 -5.258788291e-01 4.24 -5.130810042e-01 4.26 -5.004829573e-01 4.28 -4.880782192e-01 4.30 -4.758592491e-01 4.32 -4.638173380e-01 4.34 -4.519425165e-01 4.36 -4.402234687e-01 4.38 -4.286474575e-01 4.40 -4.172002656e-01 4.42 -4.058661583e-01 4.44 -3.946278770e-01 4.46 -3.834666739e-01 4.48 -3.723624009e-01 4.50 -3.612936695e-01 4.52 -3.502380982e-01 4.54 -3.391726707e-01 4.56 -3.280742226e-01 4.58 -3.169200775e-01 4.60 -3.056888470e-01 4.62 -2.943614016e-01 4.64 -2.829220041e-01 4.66 -2.713595825e-01 4.68 -2.596690915e-01 4.70 -2.478528858e-01 4.72 -2.359220001e-01 4.74 -2.238972028e-01 4.76 -2.118096767e-01 4.78 -1.997011775e-01 4.80 -1.876230425e-01 4.82 -1.756370764e-01 4.84 -1.638103093e-01 4.86 -1.522147041e-01 4.88 -1.409234662e-01 4.90 -1.300077245e-01 4.92 -1.195332638e-01 4.94 -1.095576021e-01 4.96 -1.001276648e-01 4.98 -9.127822794e-02 5.00 -8.303120974e-02 5.02 -7.539578425e-02 5.04 -6.836921095e-02 5.06 -6.193821378e-02 5.08 -5.608071857e-02 5.10 -5.076775986e-02 5.12 -4.596540642e-02 5.14 -4.163652137e-02 5.16 -3.774235423e-02 5.18 -3.424389056e-02 5.20 -3.110291421e-02 5.22 -2.828281351e-02 5.24 -2.574867919e-02 5.26 -2.346743898e-02 5.28 -2.141088772e-02 5.30 -1.955344733e-02 5.32 -1.787209737e-02 5.34 -1.634640160e-02 5.36 -1.495844149e-02 5.38 -1.369268605e-02 5.40 -1.253581434e-02 5.42 -1.147650534e-02 5.44 -1.050520686e-02 5.46 -9.613892016e-03 5.48 -8.795811977e-03 5.50 -8.045253884e-03 5.52 -7.357312782e-03 5.54 -6.727686032e-03 5.56 -6.152497272e-03 5.58 -5.628154698e-03 5.60 -5.151245666e-03 5.62 -4.718466506e-03 5.64 -4.326583824e-03 5.66 -3.972421556e-03 5.68 -3.652867008e-03 5.70 -3.364889053e-03 5.72 -3.105562299e-03 5.74 -2.872093187e-03 5.76 -2.661908678e-03 5.78 -2.472565736e-03 5.80 -2.301758475e-03 5.82 -2.147372234e-03 5.84 -2.007483605e-03 5.86 -1.880355903e-03 5.88 -1.764431117e-03 5.90 -1.658319363e-03 5.92 -1.560786814e-03 5.94 -1.470742901e-03 5.96 -1.387227441e-03 5.98 -1.309398180e-03 6.00 -1.236519109e-03