# 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 = CoMoPt2 # 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 3.299639878e+02 3.299639878e+02 1.30 3.072584390e+02 3.072584390e+02 1.32 2.860511244e+02 2.860511244e+02 1.34 2.662346045e+02 2.662346045e+02 1.36 2.477205430e+02 2.477205430e+02 1.38 2.304324991e+02 2.304324991e+02 1.40 2.142996491e+02 2.142996491e+02 1.42 1.992525936e+02 1.992525936e+02 1.44 1.852198855e+02 1.852198855e+02 1.46 1.721273128e+02 1.721273128e+02 1.48 1.599012449e+02 1.599012449e+02 1.50 1.484724514e+02 1.484724514e+02 1.52 1.377771282e+02 1.377771282e+02 1.54 1.277559057e+02 1.277559057e+02 1.56 1.183529816e+02 1.183529816e+02 1.58 1.095160609e+02 1.095160609e+02 1.60 1.011965523e+02 1.011965523e+02 1.62 9.334972869e+01 9.334972869e+01 1.64 8.593516949e+01 8.593516949e+01 1.66 7.891764722e+01 7.891764722e+01 1.68 7.226805376e+01 7.226805376e+01 1.70 6.596379605e+01 6.596379605e+01 1.72 5.998830147e+01 5.998830147e+01 1.74 5.432946966e+01 5.432946966e+01 1.76 4.897843530e+01 4.897843530e+01 1.78 4.392849300e+01 4.392849300e+01 1.80 3.926037167e+01 3.926037167e+01 1.82 3.500300615e+01 3.500300615e+01 1.84 3.112665738e+01 3.112665738e+01 1.86 2.760313170e+01 2.760313170e+01 1.88 2.440559084e+01 2.440559084e+01 1.90 2.150794298e+01 2.150794298e+01 1.92 1.888424245e+01 1.888424245e+01 1.94 1.650860694e+01 1.650860694e+01 1.96 1.435582949e+01 1.435582949e+01 1.98 1.240234110e+01 1.240234110e+01 2.00 1.062698069e+01 1.062698069e+01 2.02 9.011279814e+00 9.011279814e+00 2.04 7.539324347e+00 7.539324347e+00 2.06 6.197403049e+00 6.197403049e+00 2.08 4.973606226e+00 4.973606226e+00 2.10 3.857452351e+00 3.857452351e+00 2.12 2.839577632e+00 2.839577632e+00 2.14 1.911511817e+00 1.911511817e+00 2.16 1.065550747e+00 1.065550747e+00 2.18 2.947102308e-01 2.947102308e-01 2.20 -4.072787486e-01 -4.072787486e-01 2.22 -1.045977142e+00 -1.045977142e+00 2.24 -1.626272819e+00 -1.626272819e+00 2.26 -2.152445580e+00 -2.152445580e+00 2.28 -2.628250740e+00 -2.628250740e+00 2.30 -3.057008248e+00 -3.057008248e+00 2.32 -3.441688928e+00 -3.441688928e+00 2.34 -3.784994328e+00 -3.784994328e+00 2.36 -4.089429863e+00 -4.089429863e+00 2.38 -4.357371686e+00 -4.357371686e+00 2.40 -4.591127051e+00 -4.591127051e+00 2.42 -4.792986068e+00 -4.792986068e+00 2.44 -4.965261111e+00 -4.965261111e+00 2.46 -5.110310146e+00 -5.110310146e+00 2.48 -5.230541914e+00 -5.230541914e+00 2.50 -5.328402323e+00 -5.328402323e+00 2.52 -5.406340905e+00 -5.406340905e+00 2.54 -5.466746033e+00 -5.466746033e+00 2.56 -5.513694521e+00 -5.513694521e+00 2.58 -5.549940016e+00 -5.549940016e+00 2.60 -5.576689646e+00 -5.576689646e+00 2.62 -5.594912111e+00 -5.594912111e+00 2.64 -5.605321994e+00 -5.605321994e+00 2.66 -5.608406761e+00 -5.608406761e+00 2.68 -5.604485222e+00 -5.604485222e+00 2.70 -5.593797057e+00 -5.593797057e+00 2.72 -5.576400049e+00 -5.576400049e+00 2.74 -5.552238348e+00 -5.552238348e+00 2.76 -5.521294428e+00 -5.521294428e+00 2.78 -5.483602192e+00 -5.483602192e+00 2.80 -5.439242333e+00 -5.439242333e+00 2.82 -5.388338923e+00 -5.388338923e+00 2.84 -5.331059782e+00 -5.331059782e+00 2.86 -5.267595256e+00 -5.267595256e+00 2.88 -5.198140436e+00 -5.198140436e+00 2.90 -5.122970159e+00 -5.122970159e+00 2.92 -5.042461974e+00 -5.042461974e+00 2.94 -4.957104298e+00 -4.957104298e+00 2.96 -4.867492142e+00 -4.867492142e+00 2.98 -4.774305944e+00 -4.774305944e+00 3.00 -4.678273303e+00 -4.678273303e+00 3.02 -4.580118819e+00 -4.580118819e+00 3.04 -4.480511480e+00 -4.480511480e+00 3.06 -4.380020223e+00 -4.380020223e+00 3.08 -4.279085660e+00 -4.279085660e+00 3.10 -4.178011274e+00 -4.178011274e+00 3.12 -4.076972266e+00 -4.076972266e+00 3.14 -3.976036965e+00 -3.976036965e+00 3.16 -3.875194565e+00 -3.875194565e+00 3.18 -3.774383883e+00 -3.774383883e+00 3.20 -3.673519481e+00 -3.673519481e+00 3.22 -3.572513477e+00 -3.572513477e+00 3.24 -3.471292782e+00 -3.471292782e+00 3.26 -3.369812287e+00 -3.369812287e+00 3.28 -3.268064723e+00 -3.268064723e+00 3.30 -3.166087798e+00 -3.166087798e+00 3.32 -3.063970165e+00 -3.063970165e+00 3.34 -2.961978137e+00 -2.961978137e+00 3.36 -2.860633538e+00 -2.860633538e+00 3.38 -2.760474770e+00 -2.760474770e+00 3.40 -2.662020696e+00 -2.662020696e+00 3.42 -2.565757657e+00 -2.565757657e+00 3.44 -2.472124955e+00 -2.472124955e+00 3.46 -2.381500891e+00 -2.381500891e+00 3.48 -2.294191259e+00 -2.294191259e+00 3.50 -2.210421772e+00 -2.210421772e+00 3.52 -2.130335292e+00 -2.130335292e+00 3.54 -2.053993963e+00 -2.053993963e+00 3.56 -1.981385697e+00 -1.981385697e+00 3.58 -1.912434013e+00 -1.912434013e+00 3.60 -1.847009916e+00 -1.847009916e+00 3.62 -1.784944579e+00 -1.784944579e+00 3.64 -1.726041707e+00 -1.726041707e+00 3.66 -1.670088790e+00 -1.670088790e+00 3.68 -1.616866730e+00 -1.616866730e+00 3.70 -1.566157636e+00 -1.566157636e+00 3.72 -1.517750770e+00 -1.517750770e+00 3.74 -1.471446779e+00 -1.471446779e+00 3.76 -1.427060438e+00 -1.427060438e+00 3.78 -1.384422138e+00 -1.384422138e+00 3.80 -1.343378380e+00 -1.343378380e+00 3.82 -1.303791519e+00 -1.303791519e+00 3.84 -1.265538972e+00 -1.265538972e+00 3.86 -1.228512078e+00 -1.228512078e+00 3.88 -1.192614804e+00 -1.192614804e+00 3.90 -1.157762418e+00 -1.157762418e+00 3.92 -1.123880244e+00 -1.123880244e+00 3.94 -1.090902605e+00 -1.090902605e+00 3.96 -1.058771965e+00 -1.058771965e+00 3.98 -1.027438346e+00 -1.027438346e+00 4.00 -9.968589762e-01 -9.968589762e-01 4.02 -9.669981444e-01 -9.669981444e-01 4.04 -9.378272067e-01 -9.378272067e-01 4.06 -9.093246385e-01 -9.093246385e-01 4.08 -8.814760280e-01 -8.814760280e-01 4.10 -8.542738783e-01 -8.542738783e-01 4.12 -8.277171448e-01 -8.277171448e-01 4.14 -8.018103216e-01 -8.018103216e-01 4.16 -7.765621865e-01 -7.765621865e-01 4.18 -7.519841338e-01 -7.519841338e-01 4.20 -7.280882485e-01 -7.280882485e-01 4.22 -7.048852784e-01 -7.048852784e-01 4.24 -6.823826878e-01 -6.823826878e-01 4.26 -6.605829674e-01 -6.605829674e-01 4.28 -6.394823213e-01 -6.394823213e-01 4.30 -6.190697982e-01 -6.190697982e-01 4.32 -5.993268712e-01 -5.993268712e-01 4.34 -5.802274332e-01 -5.802274332e-01 4.36 -5.617381548e-01 -5.617381548e-01 4.38 -5.438191379e-01 -5.438191379e-01 4.40 -5.264248013e-01 -5.264248013e-01 4.42 -5.095049230e-01 -5.095049230e-01 4.44 -4.930057705e-01 -4.930057705e-01 4.46 -4.768712499e-01 -4.768712499e-01 4.48 -4.610440232e-01 -4.610440232e-01 4.50 -4.454665626e-01 -4.454665626e-01 4.52 -4.300821393e-01 -4.300821393e-01 4.54 -4.148357675e-01 -4.148357675e-01 4.56 -3.996751432e-01 -3.996751432e-01 4.58 -3.845516254e-01 -3.845516254e-01 4.60 -3.694213073e-01 -3.694213073e-01 4.62 -3.542462112e-01 -3.542462112e-01 4.64 -3.389956203e-01 -3.389956203e-01 4.66 -3.236475312e-01 -3.236475312e-01 4.68 -3.081901722e-01 -3.081901722e-01 4.70 -2.926234947e-01 -2.926234947e-01 4.72 -2.769605035e-01 -2.769605035e-01 4.74 -2.612282595e-01 -2.612282595e-01 4.76 -2.454683707e-01 -2.454683707e-01 4.78 -2.297367904e-01 -2.297367904e-01 4.80 -2.141027751e-01 -2.141027751e-01 4.82 -1.986469388e-01 -1.986469388e-01 4.84 -1.834583854e-01 -1.834583854e-01 4.86 -1.686310781e-01 -1.686310781e-01 4.88 -1.542596673e-01 -1.542596673e-01 4.90 -1.404351105e-01 -1.404351105e-01 4.92 -1.272404526e-01 -1.272404526e-01 4.94 -1.147471350e-01 -1.147471350e-01 4.96 -1.030124218e-01 -1.030124218e-01 4.98 -9.207765841e-02 -9.207765841e-02 5.00 -8.196611358e-02 -8.196611358e-02 5.02 -7.268441103e-02 -7.268441103e-02 5.04 -6.422384966e-02 -6.422384966e-02 5.06 -5.656231918e-02 -5.656231918e-02 5.08 -4.966664130e-02 -4.966664130e-02 5.10 -4.349509541e-02 -4.349509541e-02 5.12 -3.799992197e-02 -3.799992197e-02 5.14 -3.312965333e-02 -3.312965333e-02 5.16 -2.883114486e-02 -2.883114486e-02 5.18 -2.505126908e-02 -2.505126908e-02 5.20 -2.173824795e-02 -2.173824795e-02 5.22 -1.884266225e-02 -1.884266225e-02 5.24 -1.631813775e-02 -1.631813775e-02 5.26 -1.412166069e-02 -1.412166069e-02 5.28 -1.221366299e-02 -1.221366299e-02 5.30 -1.055892971e-02 -1.055892971e-02 5.32 -9.125781916e-03 -9.125781916e-03 5.34 -7.885890947e-03 -7.885890947e-03 5.36 -6.814108414e-03 -6.814108414e-03 5.38 -5.888242534e-03 -5.888242534e-03 5.40 -5.088806927e-03 -5.088806927e-03 5.42 -4.398760299e-03 -4.398760299e-03 5.44 -3.803249591e-03 -3.803249591e-03 5.46 -3.289364731e-03 -3.289364731e-03 5.48 -2.845909889e-03 -2.845909889e-03 5.50 -2.463193814e-03 -2.463193814e-03 5.52 -2.132840190e-03 -2.132840190e-03 5.54 -1.847617900e-03 -1.847617900e-03 5.56 -1.601290342e-03 -1.601290342e-03 5.58 -1.388482560e-03 -1.388482560e-03 5.60 -1.204564694e-03 -1.204564694e-03 5.62 -1.045550214e-03 -1.045550214e-03 5.64 -9.080073644e-04 -9.080073644e-04 5.66 -7.889823278e-04 -7.889823278e-04 5.68 -6.859327303e-04 -6.859327303e-04 5.70 -5.966701927e-04 -5.966701927e-04 5.72 -5.193107829e-04 -5.193107829e-04 5.74 -4.522323348e-04 -4.522323348e-04 5.76 -3.940377176e-04 -3.940377176e-04 5.78 -3.435232513e-04 -3.435232513e-04 5.80 -2.996515634e-04 -2.996515634e-04 5.82 -2.615282709e-04 -2.615282709e-04 5.84 -2.283819548e-04 -2.283819548e-04 5.86 -1.995469654e-04 -1.995469654e-04 5.88 -1.744486574e-04 -1.744486574e-04 5.90 -1.525907132e-04 -1.525907132e-04 5.92 -1.335442564e-04 -1.335442564e-04 5.94 -1.169385009e-04 -1.169385009e-04 5.96 -1.024527188e-04 -1.024527188e-04 5.98 -8.980933740e-05 -8.980933740e-05 6.00 -7.876800539e-05 -7.876800539e-05