# 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 = Al2PtTi # 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 1.974683308e+02 1.974683308e+02 1.30 1.841061410e+02 1.841061410e+02 1.32 1.716335020e+02 1.716335020e+02 1.34 1.599866389e+02 1.599866389e+02 1.36 1.491099245e+02 1.491099245e+02 1.38 1.389481985e+02 1.389481985e+02 1.40 1.294444320e+02 1.294444320e+02 1.42 1.205428356e+02 1.205428356e+02 1.44 1.121936326e+02 1.121936326e+02 1.46 1.043564847e+02 1.043564847e+02 1.48 9.700065309e+01 9.700065309e+01 1.50 9.010145952e+01 9.010145952e+01 1.52 8.363527578e+01 8.363527578e+01 1.54 7.757615219e+01 7.757615219e+01 1.56 7.189525672e+01 7.189525672e+01 1.58 6.656230234e+01 6.656230234e+01 1.60 6.154766221e+01 6.154766221e+01 1.62 5.682434204e+01 5.682434204e+01 1.64 5.236948954e+01 5.236948954e+01 1.66 4.816520944e+01 4.816520944e+01 1.68 4.419833918e+01 4.419833918e+01 1.70 4.045910870e+01 4.045910870e+01 1.72 3.694979675e+01 3.694979675e+01 1.74 3.370818924e+01 3.370818924e+01 1.76 3.072034771e+01 3.072034771e+01 1.78 2.796706083e+01 2.796706083e+01 1.80 2.542820943e+01 2.542820943e+01 1.82 2.308384986e+01 2.308384986e+01 1.84 2.091613835e+01 2.091613835e+01 1.86 1.890942079e+01 1.890942079e+01 1.88 1.705000885e+01 1.705000885e+01 1.90 1.532589109e+01 1.532589109e+01 1.92 1.372651667e+01 1.372651667e+01 1.94 1.224265443e+01 1.224265443e+01 1.96 1.086625582e+01 1.086625582e+01 1.98 9.590259890e+00 9.590259890e+00 2.00 8.408332356e+00 8.408332356e+00 2.02 7.314593304e+00 7.314593304e+00 2.04 6.303414622e+00 6.303414622e+00 2.06 5.369331619e+00 5.369331619e+00 2.08 4.507048311e+00 4.507048311e+00 2.10 3.711479269e+00 3.711479269e+00 2.12 2.977783828e+00 2.977783828e+00 2.14 2.301382402e+00 2.301382402e+00 2.16 1.677969317e+00 1.677969317e+00 2.18 1.103534611e+00 1.103534611e+00 2.20 5.743913730e-01 5.743913730e-01 2.22 8.719324171e-02 8.719324171e-02 2.24 -3.610696966e-01 -3.610696966e-01 2.26 -7.730966468e-01 -7.730966468e-01 2.28 -1.151312676e+00 -1.151312676e+00 2.30 -1.497903479e+00 -1.497903479e+00 2.32 -1.814842841e+00 -1.814842841e+00 2.34 -2.103915106e+00 -2.103915106e+00 2.36 -2.366739810e+00 -2.366739810e+00 2.38 -2.604802167e+00 -2.604802167e+00 2.40 -2.819488455e+00 -2.819488455e+00 2.42 -3.012121230e+00 -3.012121230e+00 2.44 -3.183988787e+00 -3.183988787e+00 2.46 -3.336366944e+00 -3.336366944e+00 2.48 -3.470534359e+00 -3.470534359e+00 2.50 -3.588057654e+00 -3.588057654e+00 2.52 -3.691302704e+00 -3.691302704e+00 2.54 -3.781441260e+00 -3.781441260e+00 2.56 -3.859553956e+00 -3.859553956e+00 2.58 -3.926759660e+00 -3.926759660e+00 2.60 -3.984185038e+00 -3.984185038e+00 2.62 -4.032928760e+00 -4.032928760e+00 2.64 -4.074052931e+00 -4.074052931e+00 2.66 -4.108412932e+00 -4.108412932e+00 2.68 -4.136692410e+00 -4.136692410e+00 2.70 -4.159415248e+00 -4.159415248e+00 2.72 -4.176952264e+00 -4.176952264e+00 2.74 -4.189545645e+00 -4.189545645e+00 2.76 -4.197342451e+00 -4.197342451e+00 2.78 -4.200428839e+00 -4.200428839e+00 2.80 -4.198858518e+00 -4.198858518e+00 2.82 -4.192642737e+00 -4.192642737e+00 2.84 -4.181777129e+00 -4.181777129e+00 2.86 -4.166297682e+00 -4.166297682e+00 2.88 -4.146705369e+00 -4.146705369e+00 2.90 -4.123962890e+00 -4.123962890e+00 2.92 -4.097956292e+00 -4.097956292e+00 2.94 -4.068642085e+00 -4.068642085e+00 2.96 -4.036090624e+00 -4.036090624e+00 2.98 -4.000471310e+00 -4.000471310e+00 3.00 -3.962033102e+00 -3.962033102e+00 3.02 -3.921081246e+00 -3.921081246e+00 3.04 -3.877952088e+00 -3.877952088e+00 3.06 -3.832991290e+00 -3.832991290e+00 3.08 -3.786547563e+00 -3.786547563e+00 3.10 -3.738940755e+00 -3.738940755e+00 3.12 -3.690437254e+00 -3.690437254e+00 3.14 -3.641244540e+00 -3.641244540e+00 3.16 -3.591511724e+00 -3.591511724e+00 3.18 -3.541335887e+00 -3.541335887e+00 3.20 -3.490771741e+00 -3.490771741e+00 3.22 -3.439842820e+00 -3.439842820e+00 3.24 -3.388552396e+00 -3.388552396e+00 3.26 -3.336892911e+00 -3.336892911e+00 3.28 -3.284853394e+00 -3.284853394e+00 3.30 -3.232424820e+00 -3.232424820e+00 3.32 -3.179603695e+00 -3.179603695e+00 3.34 -3.126394276e+00 -3.126394276e+00 3.36 -3.072809826e+00 -3.072809826e+00 3.38 -3.018873276e+00 -3.018873276e+00 3.40 -2.964624480e+00 -2.964624480e+00 3.42 -2.910138434e+00 -2.910138434e+00 3.44 -2.855500274e+00 -2.855500274e+00 3.46 -2.800798684e+00 -2.800798684e+00 3.48 -2.746126185e+00 -2.746126185e+00 3.50 -2.691578885e+00 -2.691578885e+00 3.52 -2.637255487e+00 -2.637255487e+00 3.54 -2.583255444e+00 -2.583255444e+00 3.56 -2.529676230e+00 -2.529676230e+00 3.58 -2.476609950e+00 -2.476609950e+00 3.60 -2.424139709e+00 -2.424139709e+00 3.62 -2.372336283e+00 -2.372336283e+00 3.64 -2.321255653e+00 -2.321255653e+00 3.66 -2.270937706e+00 -2.270937706e+00 3.68 -2.221406194e+00 -2.221406194e+00 3.70 -2.172669733e+00 -2.172669733e+00 3.72 -2.124723519e+00 -2.124723519e+00 3.74 -2.077551392e+00 -2.077551392e+00 3.76 -2.031127966e+00 -2.031127966e+00 3.78 -1.985420641e+00 -1.985420641e+00 3.80 -1.940391414e+00 -1.940391414e+00 3.82 -1.895998471e+00 -1.895998471e+00 3.84 -1.852197575e+00 -1.852197575e+00 3.86 -1.808943275e+00 -1.808943275e+00 3.88 -1.766189961e+00 -1.766189961e+00 3.90 -1.723892789e+00 -1.723892789e+00 3.92 -1.682008471e+00 -1.682008471e+00 3.94 -1.640496095e+00 -1.640496095e+00 3.96 -1.599317638e+00 -1.599317638e+00 3.98 -1.558438729e+00 -1.558438729e+00 4.00 -1.517829314e+00 -1.517829314e+00 4.02 -1.477464433e+00 -1.477464433e+00 4.04 -1.437325132e+00 -1.437325132e+00 4.06 -1.397399531e+00 -1.397399531e+00 4.08 -1.357684018e+00 -1.357684018e+00 4.10 -1.318184432e+00 -1.318184432e+00 4.12 -1.278917590e+00 -1.278917590e+00 4.14 -1.239911747e+00 -1.239911747e+00 4.16 -1.201207514e+00 -1.201207514e+00 4.18 -1.162857711e+00 -1.162857711e+00 4.20 -1.124926577e+00 -1.124926577e+00 4.22 -1.087488177e+00 -1.087488177e+00 4.24 -1.050624016e+00 -1.050624016e+00 4.26 -1.014419987e+00 -1.014419987e+00 4.28 -9.789628259e-01 -9.789628259e-01 4.30 -9.443362894e-01 -9.443362894e-01 4.32 -9.106173224e-01 -9.106173224e-01 4.34 -8.778724470e-01 -8.778724470e-01 4.36 -8.461546259e-01 -8.461546259e-01 4.38 -8.155008156e-01 -8.155008156e-01 4.40 -7.859303824e-01 -7.859303824e-01 4.42 -7.574444852e-01 -7.574444852e-01 4.44 -7.300264383e-01 -7.300264383e-01 4.46 -7.036429729e-01 -7.036429729e-01 4.48 -6.782462320e-01 -6.782462320e-01 4.50 -6.537762837e-01 -6.537762837e-01 4.52 -6.301639187e-01 -6.301639187e-01 4.54 -6.073335206e-01 -6.073335206e-01 4.56 -5.852058429e-01 -5.852058429e-01 4.58 -5.637005840e-01 -5.637005840e-01 4.60 -5.427387085e-01 -5.427387085e-01 4.62 -5.222445088e-01 -5.222445088e-01 4.64 -5.021474316e-01 -5.021474316e-01 4.66 -4.823837035e-01 -4.823837035e-01 4.68 -4.628977897e-01 -4.628977897e-01 4.70 -4.436436995e-01 -4.436436995e-01 4.72 -4.245861313e-01 -4.245861313e-01 4.74 -4.057014218e-01 -4.057014218e-01 4.76 -3.869782404e-01 -3.869782404e-01 4.78 -3.684179544e-01 -3.684179544e-01 4.80 -3.500345379e-01 -3.500345379e-01 4.82 -3.318542744e-01 -3.318542744e-01 4.84 -3.139144065e-01 -3.139144065e-01 4.86 -2.962618453e-01 -2.962618453e-01 4.88 -2.789511283e-01 -2.789511283e-01 4.90 -2.620420686e-01 -2.620420686e-01 4.92 -2.455971592e-01 -2.455971592e-01 4.94 -2.296788770e-01 -2.296788770e-01 4.96 -2.143470356e-01 -2.143470356e-01 4.98 -1.996563327e-01 -1.996563327e-01 5.00 -1.856542153e-01 -1.856542153e-01 5.02 -1.723791639e-01 -1.723791639e-01 5.04 -1.598594675e-01 -1.598594675e-01 5.06 -1.481125276e-01 -1.481125276e-01 5.08 -1.371446965e-01 -1.371446965e-01 5.10 -1.269516195e-01 -1.269516195e-01 5.12 -1.175190190e-01 -1.175190190e-01 5.14 -1.088238324e-01 -1.088238324e-01 5.16 -1.008355983e-01 -1.008355983e-01 5.18 -9.351798041e-02 -9.351798041e-02 5.20 -8.683032313e-02 -8.683032313e-02 5.22 -8.072914722e-02 -8.072914722e-02 5.24 -7.516951510e-02 -7.516951510e-02 5.26 -7.010621783e-02 -7.010621783e-02 5.28 -6.549475833e-02 -6.549475833e-02 5.30 -6.129211956e-02 -6.129211956e-02 5.32 -5.745735425e-02 -5.745735425e-02 5.34 -5.395196623e-02 -5.395196623e-02 5.36 -5.074014349e-02 -5.074014349e-02 5.38 -4.778871145e-02 -4.778871145e-02 5.40 -4.506815381e-02 -4.506815381e-02 5.42 -4.255087622e-02 -4.255087622e-02 5.44 -4.021174974e-02 -4.021174974e-02 5.46 -3.802832014e-02 -3.802832014e-02 5.48 -3.598058139e-02 -3.598058139e-02 5.50 -3.405077544e-02 -3.405077544e-02 5.52 -3.222321778e-02 -3.222321778e-02 5.54 -3.048414853e-02 -3.048414853e-02 5.56 -2.882160852e-02 -2.882160852e-02 5.58 -2.722533577e-02 -2.722533577e-02 5.60 -2.568668610e-02 -2.568668610e-02 5.62 -2.419856829e-02 -2.419856829e-02 5.64 -2.275538870e-02 -2.275538870e-02 5.66 -2.135299841e-02 -2.135299841e-02 5.68 -1.998863427e-02 -1.998863427e-02 5.70 -1.866084500e-02 -1.866084500e-02 5.72 -1.736939385e-02 -1.736939385e-02 5.74 -1.611513115e-02 -1.611513115e-02 5.76 -1.489983286e-02 -1.489983286e-02 5.78 -1.372586871e-02 -1.372586871e-02 5.80 -1.259616148e-02 -1.259616148e-02 5.82 -1.151407446e-02 -1.151407446e-02 5.84 -1.048297078e-02 -1.048297078e-02 5.86 -9.505971499e-03 -9.505971499e-03 5.88 -8.585740579e-03 -8.585740579e-03 5.90 -7.724310645e-03 -7.724310645e-03 5.92 -6.922960158e-03 -6.922960158e-03 5.94 -6.182146938e-03 -6.182146938e-03 5.96 -5.501497494e-03 -5.501497494e-03 5.98 -4.879846457e-03 -4.879846457e-03 6.00 -4.315316581e-03 -4.315316581e-03