# 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 = AgPtW2 # 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 4.553086540e+02 4.553086540e+02 1.30 4.230377870e+02 4.230377870e+02 1.32 3.930673440e+02 3.930673440e+02 1.34 3.652134606e+02 3.652134606e+02 1.36 3.393212548e+02 3.393212548e+02 1.38 3.152546759e+02 3.152546759e+02 1.40 2.928878507e+02 2.928878507e+02 1.42 2.720999574e+02 2.720999574e+02 1.44 2.527738317e+02 2.527738317e+02 1.46 2.347975021e+02 2.347975021e+02 1.48 2.180665759e+02 2.180665759e+02 1.50 2.024854057e+02 2.024854057e+02 1.52 1.879666237e+02 1.879666237e+02 1.54 1.744299633e+02 1.744299633e+02 1.56 1.618012784e+02 1.618012784e+02 1.58 1.500118911e+02 1.500118911e+02 1.60 1.389979391e+02 1.389979391e+02 1.62 1.286996973e+02 1.286996973e+02 1.64 1.190612461e+02 1.190612461e+02 1.66 1.100307733e+02 1.100307733e+02 1.68 1.015613561e+02 1.015613561e+02 1.70 9.361177655e+01 9.361177655e+01 1.72 8.614690093e+01 8.614690093e+01 1.74 7.913735096e+01 7.913735096e+01 1.76 7.255858054e+01 7.255858054e+01 1.78 6.638979549e+01 6.638979549e+01 1.80 6.061299755e+01 6.061299755e+01 1.82 5.521202060e+01 5.521202060e+01 1.84 5.017159134e+01 5.017159134e+01 1.86 4.547670908e+01 4.547670908e+01 1.88 4.110992497e+01 4.110992497e+01 1.90 3.705242360e+01 3.705242360e+01 1.92 3.332380193e+01 3.332380193e+01 1.94 2.992081488e+01 2.992081488e+01 1.96 2.681219581e+01 2.681219581e+01 1.98 2.396949683e+01 2.396949683e+01 2.00 2.136726915e+01 2.136726915e+01 2.02 1.898290755e+01 1.898290755e+01 2.04 1.679635675e+01 1.679635675e+01 2.06 1.478975741e+01 1.478975741e+01 2.08 1.294708925e+01 1.294708925e+01 2.10 1.125385668e+01 1.125385668e+01 2.12 9.696852608e+00 9.696852608e+00 2.14 8.264019352e+00 8.264019352e+00 2.16 6.944400845e+00 6.944400845e+00 2.18 5.728152032e+00 5.728152032e+00 2.20 4.606553625e+00 4.606553625e+00 2.22 3.571986621e+00 3.571986621e+00 2.24 2.617847154e+00 2.617847154e+00 2.26 1.738411139e+00 1.738411139e+00 2.28 9.286744154e-01 9.286744154e-01 2.30 1.841947934e-01 1.841947934e-01 2.32 -4.990462113e-01 -4.990462113e-01 2.34 -1.124754097e+00 -1.124754097e+00 2.36 -1.696404067e+00 -1.696404067e+00 2.38 -2.217298746e+00 -2.217298746e+00 2.40 -2.690605442e+00 -2.690605442e+00 2.42 -3.119377908e+00 -3.119377908e+00 2.44 -3.506567890e+00 -3.506567890e+00 2.46 -3.855031520e+00 -3.855031520e+00 2.48 -4.167466502e+00 -4.167466502e+00 2.50 -4.446441514e+00 -4.446441514e+00 2.52 -4.694707683e+00 -4.694707683e+00 2.54 -4.914895606e+00 -4.914895606e+00 2.56 -5.109463765e+00 -5.109463765e+00 2.58 -5.280654853e+00 -5.280654853e+00 2.60 -5.430458215e+00 -5.430458215e+00 2.62 -5.560593062e+00 -5.560593062e+00 2.64 -5.672389393e+00 -5.672389393e+00 2.66 -5.766485514e+00 -5.766485514e+00 2.68 -5.843361805e+00 -5.843361805e+00 2.70 -5.903907658e+00 -5.903907658e+00 2.72 -5.949591098e+00 -5.949591098e+00 2.74 -5.980659908e+00 -5.980659908e+00 2.76 -5.997363693e+00 -5.997363693e+00 2.78 -6.000024572e+00 -6.000024572e+00 2.80 -5.989029882e+00 -5.989029882e+00 2.82 -5.964827413e+00 -5.964827413e+00 2.84 -5.927925149e+00 -5.927925149e+00 2.86 -5.878896687e+00 -5.878896687e+00 2.88 -5.818392095e+00 -5.818392095e+00 2.90 -5.747152234e+00 -5.747152234e+00 2.92 -5.666022723e+00 -5.666022723e+00 2.94 -5.575962317e+00 -5.575962317e+00 2.96 -5.478040140e+00 -5.478040140e+00 2.98 -5.373417421e+00 -5.373417421e+00 3.00 -5.263312434e+00 -5.263312434e+00 3.02 -5.148951397e+00 -5.148951397e+00 3.04 -5.031511879e+00 -5.031511879e+00 3.06 -4.912067414e+00 -4.912067414e+00 3.08 -4.791541572e+00 -4.791541572e+00 3.10 -4.670677388e+00 -4.670677388e+00 3.12 -4.550024491e+00 -4.550024491e+00 3.14 -4.429943131e+00 -4.429943131e+00 3.16 -4.310621900e+00 -4.310621900e+00 3.18 -4.192168419e+00 -4.192168419e+00 3.20 -4.074567451e+00 -4.074567451e+00 3.22 -3.957518620e+00 -3.957518620e+00 3.24 -3.840688038e+00 -3.840688038e+00 3.26 -3.723743840e+00 -3.723743840e+00 3.28 -3.606382078e+00 -3.606382078e+00 3.30 -3.488350478e+00 -3.488350478e+00 3.32 -3.369482074e+00 -3.369482074e+00 3.34 -3.249714926e+00 -3.249714926e+00 3.36 -3.129088846e+00 -3.129088846e+00 3.38 -3.007827930e+00 -3.007827930e+00 3.40 -2.886643249e+00 -2.886643249e+00 3.42 -2.766404291e+00 -2.766404291e+00 3.44 -2.647970323e+00 -2.647970323e+00 3.46 -2.532158189e+00 -2.532158189e+00 3.48 -2.419709775e+00 -2.419709775e+00 3.50 -2.311263134e+00 -2.311263134e+00 3.52 -2.207330707e+00 -2.207330707e+00 3.54 -2.108286851e+00 -2.108286851e+00 3.56 -2.014365420e+00 -2.014365420e+00 3.58 -1.925666641e+00 -1.925666641e+00 3.60 -1.842171428e+00 -1.842171428e+00 3.62 -1.763760648e+00 -1.763760648e+00 3.64 -1.690236700e+00 -1.690236700e+00 3.66 -1.621345143e+00 -1.621345143e+00 3.68 -1.556794620e+00 -1.556794620e+00 3.70 -1.496273981e+00 -1.496273981e+00 3.72 -1.439466129e+00 -1.439466129e+00 3.74 -1.386058525e+00 -1.386058525e+00 3.76 -1.335750643e+00 -1.335750643e+00 3.78 -1.288258825e+00 -1.288258825e+00 3.80 -1.243319036e+00 -1.243319036e+00 3.82 -1.200688034e+00 -1.200688034e+00 3.84 -1.160143402e+00 -1.160143402e+00 3.86 -1.121482823e+00 -1.121482823e+00 3.88 -1.084522911e+00 -1.084522911e+00 3.90 -1.049097832e+00 -1.049097832e+00 3.92 -1.015057904e+00 -1.015057904e+00 3.94 -9.822683050e-01 -9.822683050e-01 3.96 -9.506079798e-01 -9.506079798e-01 3.98 -9.199688163e-01 -9.199688163e-01 4.00 -8.902551118e-01 -8.902551118e-01 4.02 -8.613833344e-01 -8.613833344e-01 4.04 -8.332821446e-01 -8.332821446e-01 4.06 -8.058926063e-01 -8.058926063e-01 4.08 -7.791684751e-01 -7.791684751e-01 4.10 -7.530764078e-01 -7.530764078e-01 4.12 -7.275959465e-01 -7.275959465e-01 4.14 -7.027190043e-01 -7.027190043e-01 4.16 -6.784488084e-01 -6.784488084e-01 4.18 -6.547981121e-01 -6.547981121e-01 4.20 -6.317867165e-01 -6.317867165e-01 4.22 -6.094384203e-01 -6.094384203e-01 4.24 -5.877776406e-01 -5.877776406e-01 4.26 -5.668260317e-01 -5.668260317e-01 4.28 -5.465994484e-01 -5.465994484e-01 4.30 -5.271055595e-01 -5.271055595e-01 4.32 -5.083423101e-01 -5.083423101e-01 4.34 -4.902973003e-01 -4.902973003e-01 4.36 -4.729480149e-01 -4.729480149e-01 4.38 -4.562627422e-01 -4.562627422e-01 4.40 -4.402019759e-01 -4.402019759e-01 4.42 -4.247200484e-01 -4.247200484e-01 4.44 -4.097668294e-01 -4.097668294e-01 4.46 -3.952893419e-01 -3.952893419e-01 4.48 -3.812337503e-01 -3.812337503e-01 4.50 -3.675455426e-01 -3.675455426e-01 4.52 -3.541705783e-01 -3.541705783e-01 4.54 -3.410564378e-01 -3.410564378e-01 4.56 -3.281538759e-01 -3.281538759e-01 4.58 -3.154171179e-01 -3.154171179e-01 4.60 -3.028043382e-01 -3.028043382e-01 4.62 -2.902784631e-01 -2.902784631e-01 4.64 -2.778080153e-01 -2.778080153e-01 4.66 -2.653680083e-01 -2.653680083e-01 4.68 -2.529408687e-01 -2.529408687e-01 4.70 -2.405173408e-01 -2.405173408e-01 4.72 -2.280972930e-01 -2.280972930e-01 4.74 -2.156903305e-01 -2.156903305e-01 4.76 -2.033161035e-01 -2.033161035e-01 4.78 -1.910042007e-01 -1.910042007e-01 4.80 -1.787935404e-01 -1.787935404e-01 4.82 -1.667312156e-01 -1.667312156e-01 4.84 -1.548707835e-01 -1.548707835e-01 4.86 -1.432700922e-01 -1.432700922e-01 4.88 -1.319887654e-01 -1.319887654e-01 4.90 -1.210855353e-01 -1.210855353e-01 4.92 -1.106156344e-01 -1.106156344e-01 4.94 -1.006284529e-01 -1.006284529e-01 4.96 -9.116563241e-02 -9.116563241e-02 4.98 -8.225971027e-02 -8.225971027e-02 5.00 -7.393336278e-02 -7.393336278e-02 5.02 -6.619922992e-02 -6.619922992e-02 5.04 -5.906025295e-02 -5.906025295e-02 5.06 -5.251042361e-02 -5.251042361e-02 5.08 -4.653582905e-02 -4.653582905e-02 5.10 -4.111587944e-02 -4.111587944e-02 5.12 -3.622461720e-02 -3.622461720e-02 5.14 -3.183202621e-02 -3.183202621e-02 5.16 -2.790527523e-02 -2.790527523e-02 5.18 -2.440985507e-02 -2.440985507e-02 5.20 -2.131057929e-02 -2.131057929e-02 5.22 -1.857243172e-02 -1.857243172e-02 5.24 -1.616100740e-02 -1.616100740e-02 5.26 -1.404341863e-02 -1.404341863e-02 5.28 -1.218901212e-02 -1.218901212e-02 5.30 -1.056904979e-02 -1.056904979e-02 5.32 -9.156921167e-03 -9.156921167e-03 5.34 -7.928249328e-03 -7.928249328e-03 5.36 -6.860908410e-03 -6.860908410e-03 5.38 -5.934974671e-03 -5.934974671e-03 5.40 -5.132630056e-03 -5.132630056e-03 5.42 -4.438033977e-03 -4.438033977e-03 5.44 -3.837175966e-03 -3.837175966e-03 5.46 -3.317719045e-03 -3.317719045e-03 5.48 -2.868841256e-03 -2.868841256e-03 5.50 -2.481080708e-03 -2.481080708e-03 5.52 -2.146187850e-03 -2.146187850e-03 5.54 -1.856987303e-03 -1.856987303e-03 5.56 -1.607250617e-03 -1.607250617e-03 5.58 -1.391580482e-03 -1.391580482e-03 5.60 -1.205306442e-03 -1.205306442e-03 5.62 -1.044391712e-03 -1.044391712e-03 5.64 -9.053505003e-04 -9.053505003e-04 5.66 -7.851750676e-04 -7.851750676e-04 5.68 -6.812716734e-04 -6.812716734e-04 5.70 -5.914045617e-04 -5.914045617e-04 5.72 -5.136471364e-04 -5.136471364e-04 5.74 -4.463395245e-04 -4.463395245e-04 5.76 -3.880517776e-04 -3.880517776e-04 5.78 -3.375520253e-04 -3.375520253e-04 5.80 -2.937789582e-04 -2.937789582e-04 5.82 -2.558180847e-04 -2.558180847e-04 5.84 -2.228812643e-04 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