# 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 = MoPt2Ti # 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 3.893849934e+02 3.893849934e+02 1.30 3.634251847e+02 3.634251847e+02 1.32 3.391703899e+02 3.391703899e+02 1.34 3.165006749e+02 3.165006749e+02 1.36 2.953143508e+02 2.953143508e+02 1.38 2.755212165e+02 2.755212165e+02 1.40 2.570380601e+02 2.570380601e+02 1.42 2.397851176e+02 2.397851176e+02 1.44 2.236812459e+02 2.236812459e+02 1.46 2.086414926e+02 2.086414926e+02 1.48 1.945807280e+02 1.945807280e+02 1.50 1.814195932e+02 1.814195932e+02 1.52 1.690870715e+02 1.690870715e+02 1.54 1.575191692e+02 1.575191692e+02 1.56 1.466565926e+02 1.466565926e+02 1.58 1.364432689e+02 1.364432689e+02 1.60 1.268258441e+02 1.268258441e+02 1.62 1.177539177e+02 1.177539177e+02 1.64 1.091809623e+02 1.091809623e+02 1.66 1.010658350e+02 1.010658350e+02 1.68 9.337444454e+01 9.337444454e+01 1.70 8.608075871e+01 8.608075871e+01 1.72 7.916627356e+01 7.916627356e+01 1.74 7.261765847e+01 7.261765847e+01 1.76 6.642352711e+01 6.642352711e+01 1.78 6.057200552e+01 6.057200552e+01 1.80 5.505001855e+01 5.505001855e+01 1.82 4.984420639e+01 4.984420639e+01 1.84 4.494328692e+01 4.494328692e+01 1.86 4.040798010e+01 4.040798010e+01 1.88 3.627160289e+01 3.627160289e+01 1.90 3.250333605e+01 3.250333605e+01 1.92 2.907281418e+01 2.907281418e+01 1.94 2.594978179e+01 2.594978179e+01 1.96 2.310454022e+01 2.310454022e+01 1.98 2.050891462e+01 2.050891462e+01 2.00 1.813719800e+01 1.813719800e+01 2.02 1.596667885e+01 1.596667885e+01 2.04 1.397768116e+01 1.397768116e+01 2.06 1.215326632e+01 1.215326632e+01 2.08 1.047879150e+01 1.047879150e+01 2.10 8.941458190e+00 8.941458190e+00 2.12 7.529912946e+00 7.529912946e+00 2.14 6.233933007e+00 6.233933007e+00 2.16 5.044215865e+00 5.044215865e+00 2.18 3.952270719e+00 3.952270719e+00 2.20 2.950378777e+00 2.950378777e+00 2.22 2.031575504e+00 2.031575504e+00 2.24 1.189621567e+00 1.189621567e+00 2.26 4.189521391e-01 4.189521391e-01 2.28 -2.853916626e-01 -2.853916626e-01 2.30 -9.278431154e-01 -9.278431154e-01 2.32 -1.512398357e+00 -1.512398357e+00 2.34 -2.042706259e+00 -2.042706259e+00 2.36 -2.522150457e+00 -2.522150457e+00 2.38 -2.953918235e+00 -2.953918235e+00 2.40 -3.341057486e+00 -3.341057486e+00 2.42 -3.686526474e+00 -3.686526474e+00 2.44 -3.993237683e+00 -3.993237683e+00 2.46 -4.264092114e+00 -4.264092114e+00 2.48 -4.501997314e+00 -4.501997314e+00 2.50 -4.709863167e+00 -4.709863167e+00 2.52 -4.890571014e+00 -4.890571014e+00 2.54 -5.046914818e+00 -5.046914818e+00 2.56 -5.181520199e+00 -5.181520199e+00 2.58 -5.296757707e+00 -5.296757707e+00 2.60 -5.394674168e+00 -5.394674168e+00 2.62 -5.476962813e+00 -5.476962813e+00 2.64 -5.544911088e+00 -5.544911088e+00 2.66 -5.601123597e+00 -5.601123597e+00 2.68 -5.647336346e+00 -5.647336346e+00 2.70 -5.683763839e+00 -5.683763839e+00 2.72 -5.710601956e+00 -5.710601956e+00 2.74 -5.728064280e+00 -5.728064280e+00 2.76 -5.736430967e+00 -5.736430967e+00 2.78 -5.735925369e+00 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-3.784958933e+00 -3.784958933e+00 3.32 -3.679736042e+00 -3.679736042e+00 3.34 -3.573855686e+00 -3.573855686e+00 3.36 -3.467536190e+00 -3.467536190e+00 3.38 -3.361038756e+00 -3.361038756e+00 3.40 -3.254662189e+00 -3.254662189e+00 3.42 -3.148734903e+00 -3.148734903e+00 3.44 -3.043654388e+00 -3.043654388e+00 3.46 -2.940050000e+00 -2.940050000e+00 3.48 -2.838547477e+00 -2.838547477e+00 3.50 -2.739672726e+00 -2.739672726e+00 3.52 -2.643846756e+00 -2.643846756e+00 3.54 -2.551385121e+00 -2.551385121e+00 3.56 -2.462501651e+00 -2.462501651e+00 3.58 -2.377315797e+00 -2.377315797e+00 3.60 -2.295862729e+00 -2.295862729e+00 3.62 -2.218105312e+00 -2.218105312e+00 3.64 -2.143947155e+00 -2.143947155e+00 3.66 -2.073245962e+00 -2.073245962e+00 3.68 -2.005826485e+00 -2.005826485e+00 3.70 -1.941492424e+00 -1.941492424e+00 3.72 -1.880036775e+00 -1.880036775e+00 3.74 -1.821250339e+00 -1.821250339e+00 3.76 -1.764928284e+00 -1.764928284e+00 3.78 -1.710874884e+00 -1.710874884e+00 3.80 -1.658906648e+00 -1.658906648e+00 3.82 -1.608854139e+00 -1.608854139e+00 3.84 -1.560562783e+00 -1.560562783e+00 3.86 -1.513892934e+00 -1.513892934e+00 3.88 -1.468719448e+00 -1.468719448e+00 3.90 -1.424930956e+00 -1.424930956e+00 3.92 -1.382428980e+00 -1.382428980e+00 3.94 -1.341127168e+00 -1.341127168e+00 3.96 -1.300950345e+00 -1.300950345e+00 3.98 -1.261834006e+00 -1.261834006e+00 4.00 -1.223723825e+00 -1.223723825e+00 4.02 -1.186575367e+00 -1.186575367e+00 4.04 -1.150353897e+00 -1.150353897e+00 4.06 -1.115034205e+00 -1.115034205e+00 4.08 -1.080600299e+00 -1.080600299e+00 4.10 -1.047044795e+00 -1.047044795e+00 4.12 -1.014368105e+00 -1.014368105e+00 4.14 -9.825766547e-01 -9.825766547e-01 4.16 -9.516810332e-01 -9.516810332e-01 4.18 -9.216934126e-01 -9.216934126e-01 4.20 -8.926247215e-01 -8.926247215e-01 4.22 -8.644817854e-01 -8.644817854e-01 4.24 -8.372647436e-01 -8.372647436e-01 4.26 -8.109650366e-01 -8.109650366e-01 4.28 -7.855641756e-01 -7.855641756e-01 4.30 -7.610333816e-01 -7.610333816e-01 4.32 -7.373340481e-01 -7.373340481e-01 4.34 -7.144188678e-01 -7.144188678e-01 4.36 -6.922333962e-01 -6.922333962e-01 4.38 -6.707178127e-01 -6.707178127e-01 4.40 -6.498086659e-01 -6.498086659e-01 4.42 -6.294404521e-01 -6.294404521e-01 4.44 -6.095469410e-01 -6.095469410e-01 4.46 -5.900622280e-01 -5.900622280e-01 4.48 -5.709215410e-01 -5.709215410e-01 4.50 -5.520618641e-01 -5.520618641e-01 4.52 -5.334224594e-01 -5.334224594e-01 4.54 -5.149453714e-01 -5.149453714e-01 4.56 -4.965759964e-01 -4.965759964e-01 4.58 -4.782637877e-01 -4.782637877e-01 4.60 -4.599631487e-01 -4.599631487e-01 4.62 -4.416345447e-01 -4.416345447e-01 4.64 -4.232458365e-01 -4.232458365e-01 4.66 -4.047738043e-01 -4.047738043e-01 4.68 -3.862057917e-01 -3.862057917e-01 4.70 -3.675413588e-01 -3.675413588e-01 4.72 -3.487937909e-01 -3.487937909e-01 4.74 -3.299912778e-01 -3.299912778e-01 4.76 -3.111775570e-01 -3.111775570e-01 4.78 -2.924118240e-01 -2.924118240e-01 4.80 -2.737677060e-01 -2.737677060e-01 4.82 -2.553314620e-01 -2.553314620e-01 4.84 -2.371987733e-01 -2.371987733e-01 4.86 -2.194711479e-01 -2.194711479e-01 4.88 -2.022515020e-01 -2.022515020e-01 4.90 -1.856395462e-01 -1.856395462e-01 4.92 -1.697273209e-01 -1.697273209e-01 4.94 -1.545952622e-01 -1.545952622e-01 4.96 -1.403091115e-01 -1.403091115e-01 4.98 -1.269178702e-01 -1.269178702e-01 5.00 -1.144528712e-01 -1.144528712e-01 5.02 -1.029279098e-01 -1.029279098e-01 5.04 -9.234028045e-02 -9.234028045e-02 5.06 -8.267250224e-02 -8.267250224e-02 5.08 -7.389449892e-02 -7.389449892e-02 5.10 -6.596601007e-02 -6.596601007e-02 5.12 -5.883904448e-02 -5.883904448e-02 5.14 -5.246022963e-02 -5.246022963e-02 5.16 -4.677295683e-02 -4.677295683e-02 5.18 -4.171926378e-02 -4.171926378e-02 5.20 -3.724140117e-02 -3.724140117e-02 5.22 -3.328309757e-02 -3.328309757e-02 5.24 -2.979052701e-02 -2.979052701e-02 5.26 -2.671294970e-02 -2.671294970e-02 5.28 -2.400308632e-02 -2.400308632e-02 5.30 -2.161776905e-02 -2.161776905e-02 5.32 -1.951771141e-02 -1.951771141e-02 5.34 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