# 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 = NiPtW2 # 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 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.726566826e+02 3.726566826e+02 1.30 3.456100534e+02 3.456100534e+02 1.32 3.205179863e+02 3.205179863e+02 1.34 2.972239735e+02 2.972239735e+02 1.36 2.755956407e+02 2.755956407e+02 1.38 2.555161928e+02 2.555161928e+02 1.40 2.368769047e+02 2.368769047e+02 1.42 2.195725199e+02 2.195725199e+02 1.44 2.035003443e+02 2.035003443e+02 1.46 1.885623839e+02 1.885623839e+02 1.48 1.746681960e+02 1.746681960e+02 1.50 1.617361331e+02 1.617361331e+02 1.52 1.496926082e+02 1.496926082e+02 1.54 1.384705519e+02 1.384705519e+02 1.56 1.280081035e+02 1.280081035e+02 1.58 1.182476911e+02 1.182476911e+02 1.60 1.091353004e+02 1.091353004e+02 1.62 1.006199966e+02 1.006199966e+02 1.64 9.265395685e+01 9.265395685e+01 1.66 8.519308638e+01 8.519308638e+01 1.68 7.819797420e+01 7.819797420e+01 1.70 7.163477215e+01 7.163477215e+01 1.72 6.547555068e+01 6.547555068e+01 1.74 5.969778833e+01 5.969778833e+01 1.76 5.428305502e+01 5.428305502e+01 1.78 4.921546932e+01 4.921546932e+01 1.80 4.448053294e+01 4.448053294e+01 1.82 4.006439688e+01 4.006439688e+01 1.84 3.595365908e+01 3.595365908e+01 1.86 3.213469886e+01 3.213469886e+01 1.88 2.859154370e+01 2.859154370e+01 1.90 2.531223594e+01 2.531223594e+01 1.92 2.232552481e+01 2.232552481e+01 1.94 1.961379060e+01 1.961379060e+01 1.96 1.714874794e+01 1.714874794e+01 1.98 1.490530319e+01 1.490530319e+01 2.00 1.286152379e+01 1.286152379e+01 2.02 1.099831222e+01 1.099831222e+01 2.04 9.298930960e+00 9.298930960e+00 2.06 7.748515885e+00 7.748515885e+00 2.08 6.333667279e+00 6.333667279e+00 2.10 5.042155697e+00 5.042155697e+00 2.12 3.862746337e+00 3.862746337e+00 2.14 2.785129627e+00 2.785129627e+00 2.16 1.799932304e+00 1.799932304e+00 2.18 8.987662033e-01 8.987662033e-01 2.20 7.426163017e-02 7.426163017e-02 2.22 -6.799578258e-01 -6.799578258e-01 2.24 -1.369373521e+00 -1.369373521e+00 2.26 -1.998726263e+00 -1.998726263e+00 2.28 -2.572192158e+00 -2.572192158e+00 2.30 -3.093544208e+00 -3.093544208e+00 2.32 -3.566275749e+00 -3.566275749e+00 2.34 -3.993676905e+00 -3.993676905e+00 2.36 -4.378868549e+00 -4.378868549e+00 2.38 -4.724807337e+00 -4.724807337e+00 2.40 -5.034279562e+00 -5.034279562e+00 2.42 -5.309898986e+00 -5.309898986e+00 2.44 -5.554115992e+00 -5.554115992e+00 2.46 -5.769211616e+00 -5.769211616e+00 2.48 -5.957212857e+00 -5.957212857e+00 2.50 -6.120335388e+00 -6.120335388e+00 2.52 -6.260740976e+00 -6.260740976e+00 2.54 -6.380461984e+00 -6.380461984e+00 2.56 -6.481373405e+00 -6.481373405e+00 2.58 -6.565154611e+00 -6.565154611e+00 2.60 -6.633258269e+00 -6.633258269e+00 2.62 -6.686856847e+00 -6.686856847e+00 2.64 -6.726480338e+00 -6.726480338e+00 2.66 -6.752354835e+00 -6.752354835e+00 2.68 -6.764759414e+00 -6.764759414e+00 2.70 -6.765002393e+00 -6.765002393e+00 2.72 -6.753654725e+00 -6.753654725e+00 2.74 -6.730784401e+00 -6.730784401e+00 2.76 -6.696558158e+00 -6.696558158e+00 2.78 -6.651223252e+00 -6.651223252e+00 2.80 -6.595090054e+00 -6.595090054e+00 2.82 -6.528520090e+00 -6.528520090e+00 2.84 -6.451923426e+00 -6.451923426e+00 2.86 -6.365763183e+00 -6.365763183e+00 2.88 -6.270571455e+00 -6.270571455e+00 2.90 -6.166969215e+00 -6.166969215e+00 2.92 -6.055683923e+00 -6.055683923e+00 2.94 -5.937560229e+00 -5.937560229e+00 2.96 -5.813558005e+00 -5.813558005e+00 2.98 -5.684733616e+00 -5.684733616e+00 3.00 -5.552199459e+00 -5.552199459e+00 3.02 -5.417001022e+00 -5.417001022e+00 3.04 -5.280082544e+00 -5.280082544e+00 3.06 -5.142303421e+00 -5.142303421e+00 3.08 -5.004392599e+00 -5.004392599e+00 3.10 -4.866917146e+00 -4.866917146e+00 3.12 -4.730269434e+00 -4.730269434e+00 3.14 -4.594671381e+00 -4.594671381e+00 3.16 -4.460192030e+00 -4.460192030e+00 3.18 -4.326774065e+00 -4.326774065e+00 3.20 -4.194265007e+00 -4.194265007e+00 3.22 -4.062449799e+00 -4.062449799e+00 3.24 -3.931082512e+00 -3.931082512e+00 3.26 -3.799915873e+00 -3.799915873e+00 3.28 -3.668728015e+00 -3.668728015e+00 3.30 -3.537346196e+00 -3.537346196e+00 3.32 -3.405667292e+00 -3.405667292e+00 3.34 -3.273674708e+00 -3.273674708e+00 3.36 -3.141456452e+00 -3.141456452e+00 3.38 -3.009442417e+00 -3.009442417e+00 3.40 -2.878454150e+00 -2.878454150e+00 3.42 -2.749350459e+00 -2.749350459e+00 3.44 -2.622972697e+00 -2.622972697e+00 3.46 -2.500111677e+00 -2.500111677e+00 3.48 -2.381474823e+00 -2.381474823e+00 3.50 -2.267657666e+00 -2.267657666e+00 3.52 -2.159123061e+00 -2.159123061e+00 3.54 -2.056190212e+00 -2.056190212e+00 3.56 -1.959034031e+00 -1.959034031e+00 3.58 -1.867693882e+00 -1.867693882e+00 3.60 -1.782089658e+00 -1.782089658e+00 3.62 -1.702042559e+00 -1.702042559e+00 3.64 -1.627297891e+00 -1.627297891e+00 3.66 -1.557547583e+00 -1.557547583e+00 3.68 -1.492450720e+00 -1.492450720e+00 3.70 -1.431651049e+00 -1.431651049e+00 3.72 -1.374791021e+00 -1.374791021e+00 3.74 -1.321522353e+00 -1.321522353e+00 3.76 -1.271513440e+00 -1.271513440e+00 3.78 -1.224454032e+00 -1.224454032e+00 3.80 -1.180057727e+00 -1.180057727e+00 3.82 -1.138062742e+00 -1.138062742e+00 3.84 -1.098231442e+00 -1.098231442e+00 3.86 -1.060349015e+00 -1.060349015e+00 3.88 -1.024221634e+00 -1.024221634e+00 3.90 -9.896744182e-01 -9.896744182e-01 3.92 -9.565494076e-01 -9.565494076e-01 3.94 -9.247037682e-01 -9.247037682e-01 3.96 -8.940083214e-01 -8.940083214e-01 3.98 -8.643464981e-01 -8.643464981e-01 4.00 -8.356137098e-01 -8.356137098e-01 4.02 -8.077171092e-01 -8.077171092e-01 4.04 -7.805756659e-01 -7.805756659e-01 4.06 -7.541204484e-01 -7.541204484e-01 4.08 -7.282949733e-01 -7.282949733e-01 4.10 -7.030554594e-01 -7.030554594e-01 4.12 -6.783708493e-01 -6.783708493e-01 4.14 -6.542223055e-01 -6.542223055e-01 4.16 -6.306022973e-01 -6.306022973e-01 4.18 -6.075135133e-01 -6.075135133e-01 4.20 -5.849644043e-01 -5.849644043e-01 4.22 -5.629679326e-01 -5.629679326e-01 4.24 -5.415387831e-01 -5.415387831e-01 4.26 -5.206903144e-01 -5.206903144e-01 4.28 -5.004320556e-01 -5.004320556e-01 4.30 -4.807679943e-01 -4.807679943e-01 4.32 -4.616957960e-01 -4.616957960e-01 4.34 -4.432069449e-01 -4.432069449e-01 4.36 -4.252876541e-01 -4.252876541e-01 4.38 -4.079202819e-01 -4.079202819e-01 4.40 -3.910849348e-01 -3.910849348e-01 4.42 -3.747609434e-01 -3.747609434e-01 4.44 -3.589279597e-01 -3.589279597e-01 4.46 -3.435665197e-01 -3.435665197e-01 4.48 -3.286580351e-01 -3.286580351e-01 4.50 -3.141842996e-01 -3.141842996e-01 4.52 -3.001266728e-01 -3.001266728e-01 4.54 -2.864649590e-01 -2.864649590e-01 4.56 -2.731772736e-01 -2.731772736e-01 4.58 -2.602393786e-01 -2.602393786e-01 4.60 -2.476246530e-01 -2.476246530e-01 4.62 -2.353048332e-01 -2.353048332e-01 4.64 -2.232512430e-01 -2.232512430e-01 4.66 -2.114364125e-01 -2.114364125e-01 4.68 -1.998359319e-01 -1.998359319e-01 4.70 -1.884303576e-01 -1.884303576e-01 4.72 -1.772069798e-01 -1.772069798e-01 4.74 -1.661612716e-01 -1.661612716e-01 4.76 -1.552978587e-01 -1.552978587e-01 4.78 -1.446308831e-01 -1.446308831e-01 4.80 -1.341836802e-01 -1.341836802e-01 4.82 -1.239877472e-01 -1.239877472e-01 4.84 -1.140810431e-01 -1.140810431e-01 4.86 -1.045057420e-01 -1.045057420e-01 4.88 -9.530561746e-02 -9.530561746e-02 4.90 -8.652328786e-02 -8.652328786e-02 4.92 -7.819757158e-02 -7.819757158e-02 4.94 -7.036118650e-02 -7.036118650e-02 4.96 -6.303898161e-02 -6.303898161e-02 4.98 -5.624681790e-02 -5.624681790e-02 5.00 -4.999113441e-02 -4.999113441e-02 5.02 -4.426915747e-02 -4.426915747e-02 5.04 -3.906964963e-02 -3.906964963e-02 5.06 -3.437405642e-02 -3.437405642e-02 5.08 -3.015789574e-02 -3.015789574e-02 5.10 -2.639224053e-02 -2.639224053e-02 5.12 -2.304517642e-02 -2.304517642e-02 5.14 -2.008313734e-02 -2.008313734e-02 5.16 -1.747202286e-02 -1.747202286e-02 5.18 -1.517782549e-02 -1.517782549e-02 5.20 -1.316832681e-02 -1.316832681e-02 5.22 -1.141305480e-02 -1.141305480e-02 5.24 -9.883478671e-03 -9.883478671e-03 5.26 -8.553264938e-03 -8.553264938e-03 5.28 -7.398394054e-03 -7.398394054e-03 5.30 -6.397171893e-03 -6.397171893e-03 5.32 -5.530165588e-03 -5.530165588e-03 5.34 -4.780088029e-03 -4.780088029e-03 5.36 -4.131650361e-03 -4.131650361e-03 5.38 -3.571397259e-03 -3.571397259e-03 5.40 -3.087535906e-03 -3.087535906e-03 5.42 -2.669766438e-03 -2.669766438e-03 5.44 -2.309119111e-03 -2.309119111e-03 5.46 -1.997801509e-03 -1.997801509e-03 5.48 -1.729057673e-03 -1.729057673e-03 5.50 -1.497039988e-03 -1.497039988e-03 5.52 -1.296693929e-03 -1.296693929e-03 5.54 -1.123655285e-03 -1.123655285e-03 5.56 -9.741591427e-04 -9.741591427e-04 5.58 -8.449597729e-04 -8.449597729e-04 5.60 -7.332604295e-04 -7.332604295e-04 5.62 -6.366520925e-04 -6.366520925e-04 5.64 -5.530601818e-04 -5.530601818e-04 5.66 -4.806983313e-04 -4.806983313e-04 5.68 -4.180283763e-04 -4.180283763e-04 5.70 -3.637257823e-04 -3.637257823e-04 5.72 -3.166498192e-04 -3.166498192e-04 5.74 -2.758178599e-04 -2.758178599e-04 5.76 -2.403832541e-04 -2.403832541e-04 5.78 -2.096162941e-04 -2.096162941e-04 5.80 -1.828878496e-04 -1.828878496e-04 5.82 -1.596553031e-04 -1.596553031e-04 5.84 -1.394504658e-04 -1.394504658e-04 5.86 -1.218691955e-04 -1.218691955e-04 5.88 -1.065624798e-04 -1.065624798e-04 5.90 -9.322877502e-05 -9.322877502e-05 5.92 -8.160742472e-05 -8.160742472e-05 5.94 -7.147300462e-05 -7.147300462e-05 5.96 -6.263046197e-05 -6.263046197e-05 5.98 -5.491093704e-05 -5.491093704e-05 6.00 -4.816816984e-05 -4.816816984e-05