# 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 = AlCo2Zr # 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 1.680112921e+02 1.680112921e+02 1.30 1.553941432e+02 1.553941432e+02 1.32 1.437204428e+02 1.437204428e+02 1.34 1.329127659e+02 1.329127659e+02 1.36 1.229013034e+02 1.229013034e+02 1.38 1.136237820e+02 1.136237820e+02 1.40 1.050242873e+02 1.050242873e+02 1.42 9.705143765e+01 9.705143765e+01 1.44 8.965671617e+01 8.965671617e+01 1.46 8.279408401e+01 8.279408401e+01 1.48 7.642102218e+01 7.642102218e+01 1.50 7.049966063e+01 7.049966063e+01 1.52 6.499672514e+01 6.499672514e+01 1.54 5.988245284e+01 5.988245284e+01 1.56 5.512948421e+01 5.512948421e+01 1.58 5.071234759e+01 5.071234759e+01 1.60 4.660728170e+01 4.660728170e+01 1.62 4.279203409e+01 4.279203409e+01 1.64 3.924558334e+01 3.924558334e+01 1.66 3.594795619e+01 3.594795619e+01 1.68 3.288029031e+01 3.288029031e+01 1.70 3.002511352e+01 3.002511352e+01 1.72 2.736654542e+01 2.736654542e+01 1.74 2.489034493e+01 2.489034493e+01 1.76 2.258404535e+01 2.258404535e+01 1.78 2.043587078e+01 2.043587078e+01 1.80 1.843573732e+01 1.843573732e+01 1.82 1.657553926e+01 1.657553926e+01 1.84 1.484726466e+01 1.484726466e+01 1.86 1.324233899e+01 1.324233899e+01 1.88 1.175276251e+01 1.175276251e+01 1.90 1.037104380e+01 1.037104380e+01 1.92 9.090108789e+00 9.090108789e+00 1.94 7.903223220e+00 7.903223220e+00 1.96 6.803922282e+00 6.803922282e+00 1.98 5.786026716e+00 5.786026716e+00 2.00 4.843712907e+00 4.843712907e+00 2.02 3.971585309e+00 3.971585309e+00 2.04 3.164713374e+00 3.164713374e+00 2.06 2.418607194e+00 2.418607194e+00 2.08 1.729141723e+00 1.729141723e+00 2.10 1.092466802e+00 1.092466802e+00 2.12 5.049509251e-01 5.049509251e-01 2.14 -3.684104399e-02 -3.684104399e-02 2.16 -5.361282826e-01 -5.361282826e-01 2.18 -9.958945279e-01 -9.958945279e-01 2.20 -1.418874835e+00 -1.418874835e+00 2.22 -1.807575042e+00 -1.807575042e+00 2.24 -2.164294638e+00 -2.164294638e+00 2.26 -2.491145365e+00 -2.491145365e+00 2.28 -2.790064552e+00 -2.790064552e+00 2.30 -3.062810459e+00 -3.062810459e+00 2.32 -3.310986867e+00 -3.310986867e+00 2.34 -3.536041070e+00 -3.536041070e+00 2.36 -3.739301701e+00 -3.739301701e+00 2.38 -3.922002944e+00 -3.922002944e+00 2.40 -4.085312808e+00 -4.085312808e+00 2.42 -4.230364623e+00 -4.230364623e+00 2.44 -4.358277761e+00 -4.358277761e+00 2.46 -4.470179878e+00 -4.470179878e+00 2.48 -4.567240831e+00 -4.567240831e+00 2.50 -4.650656633e+00 -4.650656633e+00 2.52 -4.721500455e+00 -4.721500455e+00 2.54 -4.780839759e+00 -4.780839759e+00 2.56 -4.829728509e+00 -4.829728509e+00 2.58 -4.869193942e+00 -4.869193942e+00 2.60 -4.900222281e+00 -4.900222281e+00 2.62 -4.923736269e+00 -4.923736269e+00 2.64 -4.940508734e+00 -4.940508734e+00 2.66 -4.951081945e+00 -4.951081945e+00 2.68 -4.955913703e+00 -4.955913703e+00 2.70 -4.955387087e+00 -4.955387087e+00 2.72 -4.949854008e+00 -4.949854008e+00 2.74 -4.939617528e+00 -4.939617528e+00 2.76 -4.924849150e+00 -4.924849150e+00 2.78 -4.905714863e+00 -4.905714863e+00 2.80 -4.882391460e+00 -4.882391460e+00 2.82 -4.855054239e+00 -4.855054239e+00 2.84 -4.824177973e+00 -4.824177973e+00 2.86 -4.790406663e+00 -4.790406663e+00 2.88 -4.753674166e+00 -4.753674166e+00 2.90 -4.713939728e+00 -4.713939728e+00 2.92 -4.671168033e+00 -4.671168033e+00 2.94 -4.625318462e+00 -4.625318462e+00 2.96 -4.576403853e+00 -4.576403853e+00 2.98 -4.524493210e+00 -4.524493210e+00 3.00 -4.469712236e+00 -4.469712236e+00 3.02 -4.412252562e+00 -4.412252562e+00 3.04 -4.352354378e+00 -4.352354378e+00 3.06 -4.290294695e+00 -4.290294695e+00 3.08 -4.226362028e+00 -4.226362028e+00 3.10 -4.160848457e+00 -4.160848457e+00 3.12 -4.094030779e+00 -4.094030779e+00 3.14 -4.026168510e+00 -4.026168510e+00 3.16 -3.957484339e+00 -3.957484339e+00 3.18 -3.888173567e+00 -3.888173567e+00 3.20 -3.818404698e+00 -3.818404698e+00 3.22 -3.748325063e+00 -3.748325063e+00 3.24 -3.678067370e+00 -3.678067370e+00 3.26 -3.607755936e+00 -3.607755936e+00 3.28 -3.537511408e+00 -3.537511408e+00 3.30 -3.467453046e+00 -3.467453046e+00 3.32 -3.397698059e+00 -3.397698059e+00 3.34 -3.328358358e+00 -3.328358358e+00 3.36 -3.259535936e+00 -3.259535936e+00 3.38 -3.191318509e+00 -3.191318509e+00 3.40 -3.123775824e+00 -3.123775824e+00 3.42 -3.056963855e+00 -3.056963855e+00 3.44 -2.990919681e+00 -2.990919681e+00 3.46 -2.925669759e+00 -2.925669759e+00 3.48 -2.861232112e+00 -2.861232112e+00 3.50 -2.797619332e+00 -2.797619332e+00 3.52 -2.734840606e+00 -2.734840606e+00 3.54 -2.672902704e+00 -2.672902704e+00 3.56 -2.611810138e+00 -2.611810138e+00 3.58 -2.551564795e+00 -2.551564795e+00 3.60 -2.492165391e+00 -2.492165391e+00 3.62 -2.433607037e+00 -2.433607037e+00 3.64 -2.375881125e+00 -2.375881125e+00 3.66 -2.318975678e+00 -2.318975678e+00 3.68 -2.262876224e+00 -2.262876224e+00 3.70 -2.207567159e+00 -2.207567159e+00 3.72 -2.153033532e+00 -2.153033532e+00 3.74 -2.099263081e+00 -2.099263081e+00 3.76 -2.046248337e+00 -2.046248337e+00 3.78 -1.993988504e+00 -1.993988504e+00 3.80 -1.942490862e+00 -1.942490862e+00 3.82 -1.891771364e+00 -1.891771364e+00 3.84 -1.841854186e+00 -1.841854186e+00 3.86 -1.792770099e+00 -1.792770099e+00 3.88 -1.744553687e+00 -1.744553687e+00 3.90 -1.697239716e+00 -1.697239716e+00 3.92 -1.650857697e+00 -1.650857697e+00 3.94 -1.605434256e+00 -1.605434256e+00 3.96 -1.560980672e+00 -1.560980672e+00 3.98 -1.517498099e+00 -1.517498099e+00 4.00 -1.474975595e+00 -1.474975595e+00 4.02 -1.433391242e+00 -1.433391242e+00 4.04 -1.392714205e+00 -1.392714205e+00 4.06 -1.352907355e+00 -1.352907355e+00 4.08 -1.313930111e+00 -1.313930111e+00 4.10 -1.275737591e+00 -1.275737591e+00 4.12 -1.238298578e+00 -1.238298578e+00 4.14 -1.201573751e+00 -1.201573751e+00 4.16 -1.165534849e+00 -1.165534849e+00 4.18 -1.130161976e+00 -1.130161976e+00 4.20 -1.095445032e+00 -1.095445032e+00 4.22 -1.061384638e+00 -1.061384638e+00 4.24 -1.027992382e+00 -1.027992382e+00 4.26 -9.952902550e-01 -9.952902550e-01 4.28 -9.633091667e-01 -9.633091667e-01 4.30 -9.320865675e-01 -9.320865675e-01 4.32 -9.016633170e-01 -9.016633170e-01 4.34 -8.720800898e-01 -8.720800898e-01 4.36 -8.433737032e-01 -8.433737032e-01 4.38 -8.155737849e-01 -8.155737849e-01 4.40 -7.887001434e-01 -7.887001434e-01 4.42 -7.627610849e-01 -7.627610849e-01 4.44 -7.377527628e-01 -7.377527628e-01 4.46 -7.136594911e-01 -7.136594911e-01 4.48 -6.904548398e-01 -6.904548398e-01 4.50 -6.681032622e-01 -6.681032622e-01 4.52 -6.465619992e-01 -6.465619992e-01 4.54 -6.257830343e-01 -6.257830343e-01 4.56 -6.057149339e-01 -6.057149339e-01 4.58 -5.863044656e-01 -5.863044656e-01 4.60 -5.674979517e-01 -5.674979517e-01 4.62 -5.492423597e-01 -5.492423597e-01 4.64 -5.314861623e-01 -5.314861623e-01 4.66 -5.141800223e-01 -5.141800223e-01 4.68 -4.972773608e-01 -4.972773608e-01 4.70 -4.807348696e-01 -4.807348696e-01 4.72 -4.645130173e-01 -4.645130173e-01 4.74 -4.485765875e-01 -4.485765875e-01 4.76 -4.328952713e-01 -4.328952713e-01 4.78 -4.174443119e-01 -4.174443119e-01 4.80 -4.022020284e-01 -4.022020284e-01 4.82 -3.871636218e-01 -3.871636218e-01 4.84 -3.723211299e-01 -3.723211299e-01 4.86 -3.576782390e-01 -3.576782390e-01 4.88 -3.432465951e-01 -3.432465951e-01 4.90 -3.290455398e-01 -3.290455398e-01 4.92 -3.151013959e-01 -3.151013959e-01 4.94 -3.014462694e-01 -3.014462694e-01 4.96 -2.881163945e-01 -2.881163945e-01 4.98 -2.751501107e-01 -2.751501107e-01 5.00 -2.625856228e-01 -2.625856228e-01 5.02 -2.504587362e-01 -2.504587362e-01 5.04 -2.388007722e-01 -2.388007722e-01 5.06 -2.276368472e-01 -2.276368472e-01 5.08 -2.169845733e-01 -2.169845733e-01 5.10 -2.068534181e-01 -2.068534181e-01 5.12 -1.972450153e-01 -1.972450153e-01 5.14 -1.881532398e-01 -1.881532398e-01 5.16 -1.795650414e-01 -1.795650414e-01 5.18 -1.714615795e-01 -1.714615795e-01 5.20 -1.638195041e-01 -1.638195041e-01 5.22 -1.566122723e-01 -1.566122723e-01 5.24 -1.498114088e-01 -1.498114088e-01 5.26 -1.433876517e-01 -1.433876517e-01 5.28 -1.373119426e-01 -1.373119426e-01 5.30 -1.315562476e-01 -1.315562476e-01 5.32 -1.260942031e-01 -1.260942031e-01 5.34 -1.209015961e-01 -1.209015961e-01 5.36 -1.159566857e-01 -1.159566857e-01 5.38 -1.112403833e-01 -1.112403833e-01 5.40 -1.067362968e-01 -1.067362968e-01 5.42 -1.024306541e-01 -1.024306541e-01 5.44 -9.831211912e-02 -9.831211912e-02 5.46 -9.437151572e-02 -9.437151572e-02 5.48 -9.060147657e-02 -9.060147657e-02 5.50 -8.699604348e-02 -8.699604348e-02 5.52 -8.355025165e-02 -8.355025165e-02 5.54 -8.025971981e-02 -8.025971981e-02 5.56 -7.712027755e-02 -7.712027755e-02 5.58 -7.412765388e-02 -7.412765388e-02 5.60 -7.127714752e-02 -7.127714752e-02 5.62 -6.856356308e-02 -6.856356308e-02 5.64 -6.598138586e-02 -6.598138586e-02 5.66 -6.352451790e-02 -6.352451790e-02 5.68 -6.118634433e-02 -6.118634433e-02 5.70 -5.895984561e-02 -5.895984561e-02 5.72 -5.683772989e-02 -5.683772989e-02 5.74 -5.481256937e-02 -5.481256937e-02 5.76 -5.287692829e-02 -5.287692829e-02 5.78 -5.102347440e-02 -5.102347440e-02 5.80 -4.924506961e-02 -4.924506961e-02 5.82 -4.753483863e-02 -4.753483863e-02 5.84 -4.588621691e-02 -4.588621691e-02 5.86 -4.429298068e-02 -4.429298068e-02 5.88 -4.274926284e-02 -4.274926284e-02 5.90 -4.124955851e-02 -4.124955851e-02 5.92 -3.978872433e-02 -3.978872433e-02 5.94 -3.836197492e-02 -3.836197492e-02 5.96 -3.696487981e-02 -3.696487981e-02 5.98 -3.559336319e-02 -3.559336319e-02 6.00 -3.424370875e-02 -3.424370875e-02