# 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 = CuMo2W # 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 2.853229448e+02 2.853229448e+02 1.30 2.633176429e+02 2.633176429e+02 1.32 2.430472488e+02 2.430472488e+02 1.34 2.243540083e+02 2.243540083e+02 1.36 2.070869619e+02 2.070869619e+02 1.38 1.911063096e+02 1.911063096e+02 1.40 1.762884475e+02 1.762884475e+02 1.42 1.625288033e+02 1.625288033e+02 1.44 1.497409746e+02 1.497409746e+02 1.46 1.378530320e+02 1.378530320e+02 1.48 1.268031601e+02 1.268031601e+02 1.50 1.165363957e+02 1.165363957e+02 1.52 1.070029297e+02 1.070029297e+02 1.54 9.815739707e+01 9.815739707e+01 1.56 8.995836956e+01 8.995836956e+01 1.58 8.236768231e+01 8.236768231e+01 1.60 7.534963626e+01 7.534963626e+01 1.62 6.887019165e+01 6.887019165e+01 1.64 6.289620901e+01 6.289620901e+01 1.66 5.739481140e+01 5.739481140e+01 1.68 5.233297563e+01 5.233297563e+01 1.70 4.767740972e+01 4.767740972e+01 1.72 4.339469999e+01 4.339469999e+01 1.74 3.945169104e+01 3.945169104e+01 1.76 3.581607130e+01 3.581607130e+01 1.78 3.245712771e+01 3.245712771e+01 1.80 2.934676784e+01 2.934676784e+01 1.82 2.646065729e+01 2.646065729e+01 1.84 2.378072627e+01 2.378072627e+01 1.86 2.129246519e+01 2.129246519e+01 1.88 1.898153111e+01 1.898153111e+01 1.90 1.683660157e+01 1.683660157e+01 1.92 1.484841994e+01 1.484841994e+01 1.94 1.300893028e+01 1.300893028e+01 1.96 1.131061514e+01 1.131061514e+01 1.98 9.746072549e+00 9.746072549e+00 2.00 8.307791811e+00 8.307791811e+00 2.02 6.988058015e+00 6.988058015e+00 2.04 5.778930808e+00 5.778930808e+00 2.06 4.672273389e+00 4.672273389e+00 2.08 3.659832060e+00 3.659832060e+00 2.10 2.733373675e+00 2.733373675e+00 2.12 1.884877559e+00 1.884877559e+00 2.14 1.106757436e+00 1.106757436e+00 2.16 3.920708417e-01 3.920708417e-01 2.18 -2.653297306e-01 -2.653297306e-01 2.20 -8.707343385e-01 -8.707343385e-01 2.22 -1.428605850e+00 -1.428605850e+00 2.24 -1.942682922e+00 -1.942682922e+00 2.26 -2.416123248e+00 -2.416123248e+00 2.28 -2.851654533e+00 -2.851654533e+00 2.30 -3.251707384e+00 -3.251707384e+00 2.32 -3.618513404e+00 -3.618513404e+00 2.34 -3.954162281e+00 -3.954162281e+00 2.36 -4.260623233e+00 -4.260623233e+00 2.38 -4.539745029e+00 -4.539745029e+00 2.40 -4.793250596e+00 -4.793250596e+00 2.42 -5.022735190e+00 -5.022735190e+00 2.44 -5.229610382e+00 -5.229610382e+00 2.46 -5.415259992e+00 -5.415259992e+00 2.48 -5.581013090e+00 -5.581013090e+00 2.50 -5.728092529e+00 -5.728092529e+00 2.52 -5.857620057e+00 -5.857620057e+00 2.54 -5.970619871e+00 -5.970619871e+00 2.56 -6.068022895e+00 -6.068022895e+00 2.58 -6.150673578e+00 -6.150673578e+00 2.60 -6.219338116e+00 -6.219338116e+00 2.62 -6.274438916e+00 -6.274438916e+00 2.64 -6.316390075e+00 -6.316390075e+00 2.66 -6.345891254e+00 -6.345891254e+00 2.68 -6.363630295e+00 -6.363630295e+00 2.70 -6.370292085e+00 -6.370292085e+00 2.72 -6.366562010e+00 -6.366562010e+00 2.74 -6.353123766e+00 -6.353123766e+00 2.76 -6.330653638e+00 -6.330653638e+00 2.78 -6.299658308e+00 -6.299658308e+00 2.80 -6.260203460e+00 -6.260203460e+00 2.82 -6.212331150e+00 -6.212331150e+00 2.84 -6.156146962e+00 -6.156146962e+00 2.86 -6.091845734e+00 -6.091845734e+00 2.88 -6.019955251e+00 -6.019955251e+00 2.90 -5.940579407e+00 -5.940579407e+00 2.92 -5.853777791e+00 -5.853777791e+00 2.94 -5.759753209e+00 -5.759753209e+00 2.96 -5.658840095e+00 -5.658840095e+00 2.98 -5.551484610e+00 -5.551484610e+00 3.00 -5.438230995e+00 -5.438230995e+00 3.02 -5.319725333e+00 -5.319725333e+00 3.04 -5.196620472e+00 -5.196620472e+00 3.06 -5.069521256e+00 -5.069521256e+00 3.08 -4.938952424e+00 -4.938952424e+00 3.10 -4.805335969e+00 -4.805335969e+00 3.12 -4.668980023e+00 -4.668980023e+00 3.14 -4.530079607e+00 -4.530079607e+00 3.16 -4.388728087e+00 -4.388728087e+00 3.18 -4.244937285e+00 -4.244937285e+00 3.20 -4.098663838e+00 -4.098663838e+00 3.22 -3.949839526e+00 -3.949839526e+00 3.24 -3.798403663e+00 -3.798403663e+00 3.26 -3.644335919e+00 -3.644335919e+00 3.28 -3.487688101e+00 -3.487688101e+00 3.30 -3.328613338e+00 -3.328613338e+00 3.32 -3.167390893e+00 -3.167390893e+00 3.34 -3.004444543e+00 -3.004444543e+00 3.36 -2.840352386e+00 -2.840352386e+00 3.38 -2.675846076e+00 -2.675846076e+00 3.40 -2.511798101e+00 -2.511798101e+00 3.42 -2.349196703e+00 -2.349196703e+00 3.44 -2.189109380e+00 -2.189109380e+00 3.46 -2.032637376e+00 -2.032637376e+00 3.48 -1.880864901e+00 -1.880864901e+00 3.50 -1.734807712e+00 -1.734807712e+00 3.52 -1.595365914e+00 -1.595365914e+00 3.54 -1.463285359e+00 -1.463285359e+00 3.56 -1.339130842e+00 -1.339130842e+00 3.58 -1.223272738e+00 -1.223272738e+00 3.60 -1.115887015e+00 -1.115887015e+00 3.62 -1.016967109e+00 -1.016967109e+00 3.64 -9.263450873e-01 -9.263450873e-01 3.66 -8.437190125e-01 -8.437190125e-01 3.68 -7.686833674e-01 -7.686833674e-01 3.70 -7.007597811e-01 -7.007597811e-01 3.72 -6.394258450e-01 -6.394258450e-01 3.74 -5.841404704e-01 -5.841404704e-01 3.76 -5.343648523e-01 -5.343648523e-01 3.78 -4.895786338e-01 -4.895786338e-01 3.80 -4.492912835e-01 -4.492912835e-01 3.82 -4.130490197e-01 -4.130490197e-01 3.84 -3.804378613e-01 -3.804378613e-01 3.86 -3.510835641e-01 -3.510835641e-01 3.88 -3.246493118e-01 -3.246493118e-01 3.90 -3.008320517e-01 -3.008320517e-01 3.92 -2.793582982e-01 -2.793582982e-01 3.94 -2.599800600e-01 -2.599800600e-01 3.96 -2.424713268e-01 -2.424713268e-01 3.98 -2.266253159e-01 -2.266253159e-01 4.00 -2.122524753e-01 -2.122524753e-01 4.02 -1.991791102e-01 -1.991791102e-01 4.04 -1.872464345e-01 -1.872464345e-01 4.06 -1.763097853e-01 -1.763097853e-01 4.08 -1.662380076e-01 -1.662380076e-01 4.10 -1.569131367e-01 -1.569131367e-01 4.12 -1.482293807e-01 -1.482293807e-01 4.14 -1.400923024e-01 -1.400923024e-01 4.16 -1.324182416e-01 -1.324182416e-01 4.18 -1.251340323e-01 -1.251340323e-01 4.20 -1.181759441e-01 -1.181759441e-01 4.22 -1.114892674e-01 -1.114892674e-01 4.24 -1.050280212e-01 -1.050280212e-01 4.26 -9.875476670e-02 -9.875476670e-02 4.28 -9.264050888e-02 -9.264050888e-02 4.30 -8.666463839e-02 -8.666463839e-02 4.32 -8.081484544e-02 -8.081484544e-02 4.34 -7.508692009e-02 -7.508692009e-02 4.36 -6.948434816e-02 -6.948434816e-02 4.38 -6.401762151e-02 -6.401762151e-02 4.40 -5.870320846e-02 -5.870320846e-02 4.42 -5.356217427e-02 -5.356217427e-02 4.44 -4.861849506e-02 -4.861849506e-02 4.46 -4.389717760e-02 -4.389717760e-02 4.48 -3.942232365e-02 -3.942232365e-02 4.50 -3.521531192e-02 -3.521531192e-02 4.52 -3.129327881e-02 -3.129327881e-02 4.54 -2.766800823e-02 -2.766800823e-02 4.56 -2.434534444e-02 -2.434534444e-02 4.58 -2.132510693e-02 -2.132510693e-02 4.60 -1.860144786e-02 -1.860144786e-02 4.62 -1.616338241e-02 -1.616338241e-02 4.64 -1.399574167e-02 -1.399574167e-02 4.66 -1.208107398e-02 -1.208107398e-02 4.68 -1.039984283e-02 -1.039984283e-02 4.70 -8.931380736e-03 -8.931380736e-03 4.72 -7.654751963e-03 -7.654751963e-03 4.74 -6.549438204e-03 -6.549438204e-03 4.76 -5.595847386e-03 -5.595847386e-03 4.78 -4.775660855e-03 -4.775660855e-03 4.80 -4.072042704e-03 -4.072042704e-03 4.82 -3.469738367e-03 -3.469738367e-03 4.84 -2.955088464e-03 -2.955088464e-03 4.86 -2.515982366e-03 -2.515982366e-03 4.88 -2.141770972e-03 -2.141770972e-03 4.90 -1.823154931e-03 -1.823154931e-03 4.92 -1.552060458e-03 -1.552060458e-03 4.94 -1.321511641e-03 -1.321511641e-03 4.96 -1.125505361e-03 -1.125505361e-03 4.98 -9.588928563e-04 -9.588928563e-04 5.00 -8.172702493e-04 -8.172702493e-04 5.02 -6.968792437e-04 -6.968792437e-04 5.04 -5.945183130e-04 -5.945183130e-04 5.06 -5.074641758e-04 -5.074641758e-04 5.08 -4.334029887e-04 -4.334029887e-04 5.10 -3.703704946e-04 -3.703704946e-04 5.12 -3.167002677e-04 -3.167002677e-04 5.14 -2.709791755e-04 -2.709791755e-04 5.16 -2.320092022e-04 -2.320092022e-04 5.18 -1.987748280e-04 -1.987748280e-04 5.20 -1.704152290e-04 -1.704152290e-04 5.22 -1.462006339e-04 -1.462006339e-04 5.24 -1.255122497e-04 -1.255122497e-04 5.26 -1.078252401e-04 -1.078252401e-04 5.28 -9.269430675e-05 -9.269430675e-05 5.30 -7.974148418e-05 -7.974148418e-05 5.32 -6.864581528e-05 -6.864581528e-05 5.34 -5.913461947e-05 -5.913461947e-05 5.36 -5.097611012e-05 -5.097611012e-05 5.38 -4.397315295e-05 -4.397315295e-05 5.40 -3.795798878e-05 -3.795798878e-05 5.42 -3.278777123e-05 -3.278777123e-05 5.44 -2.834079252e-05 -2.834079252e-05 5.46 -2.451329032e-05 -2.451329032e-05 5.48 -2.121674537e-05 -2.121674537e-05 5.50 -1.837559339e-05 -1.837559339e-05 5.52 -1.592528698e-05 -1.592528698e-05 5.54 -1.381065313e-05 -1.381065313e-05 5.56 -1.198450052e-05 -1.198450052e-05 5.58 -1.040643807e-05 -1.040643807e-05 5.60 -9.041872020e-06 -9.041872020e-06 5.62 -7.861154131e-06 -7.861154131e-06 5.64 -6.838857782e-06 -6.838857782e-06 5.66 -5.953162389e-06 -5.953162389e-06 5.68 -5.185329605e-06 -5.185329605e-06 5.70 -4.519257337e-06 -4.519257337e-06 5.72 -3.941099779e-06 -3.941099779e-06 5.74 -3.438943477e-06 -3.438943477e-06 5.76 -3.002530989e-06 -3.002530989e-06 5.78 -2.623024990e-06 -2.623024990e-06 5.80 -2.292806776e-06 -2.292806776e-06 5.82 -2.005304041e-06 -2.005304041e-06 5.84 -1.754843564e-06 -1.754843564e-06 5.86 -1.536525145e-06 -1.536525145e-06 5.88 -1.346113630e-06 -1.346113630e-06 5.90 -1.179946392e-06 -1.179946392e-06 5.92 -1.034853985e-06 -1.034853985e-06 5.94 -9.080920680e-07 -9.080920680e-07 5.96 -7.972829508e-07 -7.972829508e-07 5.98 -7.003653729e-07 -7.003653729e-07 6.00 -6.155513310e-07 -6.155513310e-07