# 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 = Al2AuW # 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 2.223698682e+02 2.223698682e+02 1.30 2.064446752e+02 2.064446752e+02 1.32 1.916594296e+02 1.916594296e+02 1.34 1.779333568e+02 1.779333568e+02 1.36 1.651952198e+02 1.651952198e+02 1.38 1.533785707e+02 1.533785707e+02 1.40 1.424181442e+02 1.424181442e+02 1.42 1.322486133e+02 1.322486133e+02 1.44 1.228056103e+02 1.228056103e+02 1.46 1.140279001e+02 1.140279001e+02 1.48 1.058593678e+02 1.058593678e+02 1.50 9.824991830e+01 9.824991830e+01 1.52 9.115522250e+01 9.115522250e+01 1.54 8.453587183e+01 8.453587183e+01 1.56 7.835647210e+01 7.835647210e+01 1.58 7.258490399e+01 7.258490399e+01 1.60 6.719180036e+01 6.719180036e+01 1.62 6.215022990e+01 6.215022990e+01 1.64 5.743553539e+01 5.743553539e+01 1.66 5.302524281e+01 5.302524281e+01 1.68 4.889895286e+01 4.889895286e+01 1.70 4.503816529e+01 4.503816529e+01 1.72 4.142647402e+01 4.142647402e+01 1.74 3.804871222e+01 3.804871222e+01 1.76 3.489630919e+01 3.489630919e+01 1.78 3.196320471e+01 3.196320471e+01 1.80 2.923488706e+01 2.923488706e+01 1.82 2.669756688e+01 2.669756688e+01 1.84 2.434100852e+01 2.434100852e+01 1.86 2.215451359e+01 2.215451359e+01 1.88 2.012623176e+01 2.012623176e+01 1.90 1.824509269e+01 1.824509269e+01 1.92 1.650074435e+01 1.650074435e+01 1.94 1.488349074e+01 1.488349074e+01 1.96 1.338425591e+01 1.338425591e+01 1.98 1.199456877e+01 1.199456877e+01 2.00 1.070654127e+01 1.070654127e+01 2.02 9.512820572e+00 9.512820572e+00 2.04 8.406519116e+00 8.406519116e+00 2.06 7.381140136e+00 7.381140136e+00 2.08 6.430516302e+00 6.430516302e+00 2.10 5.548776676e+00 5.548776676e+00 2.12 4.730351433e+00 4.730351433e+00 2.14 3.970012714e+00 3.970012714e+00 2.16 3.262937002e+00 3.262937002e+00 2.18 2.604766572e+00 2.604766572e+00 2.20 1.991648617e+00 1.991648617e+00 2.22 1.420238910e+00 1.420238910e+00 2.24 8.876687106e-01 8.876687106e-01 2.26 3.914841133e-01 3.914841133e-01 2.28 -7.042750369e-02 -7.042750369e-02 2.30 -4.999099192e-01 -4.999099192e-01 2.32 -8.985398578e-01 -8.985398578e-01 2.34 -1.267794750e+00 -1.267794750e+00 2.36 -1.609121131e+00 -1.609121131e+00 2.38 -1.923860635e+00 -1.923860635e+00 2.40 -2.213283224e+00 -2.213283224e+00 2.42 -2.478615450e+00 -2.478615450e+00 2.44 -2.721063645e+00 -2.721063645e+00 2.46 -2.941830953e+00 -2.941830953e+00 2.48 -3.142105486e+00 -3.142105486e+00 2.50 -3.322900557e+00 -3.322900557e+00 2.52 -3.485173701e+00 -3.485173701e+00 2.54 -3.629932380e+00 -3.629932380e+00 2.56 -3.758233787e+00 -3.758233787e+00 2.58 -3.871187582e+00 -3.871187582e+00 2.60 -3.969953341e+00 -3.969953341e+00 2.62 -4.055722234e+00 -4.055722234e+00 2.64 -4.129678291e+00 -4.129678291e+00 2.66 -4.192945160e+00 -4.192945160e+00 2.68 -4.246533432e+00 -4.246533432e+00 2.70 -4.291304212e+00 -4.291304212e+00 2.72 -4.327957698e+00 -4.327957698e+00 2.74 -4.357045314e+00 -4.357045314e+00 2.76 -4.378996956e+00 -4.378996956e+00 2.78 -4.394223032e+00 -4.394223032e+00 2.80 -4.402992828e+00 -4.402992828e+00 2.82 -4.405453998e+00 -4.405453998e+00 2.84 -4.401753651e+00 -4.401753651e+00 2.86 -4.392046483e+00 -4.392046483e+00 2.88 -4.376502461e+00 -4.376502461e+00 2.90 -4.356229025e+00 -4.356229025e+00 2.92 -4.331923041e+00 -4.331923041e+00 2.94 -4.303335240e+00 -4.303335240e+00 2.96 -4.270335089e+00 -4.270335089e+00 2.98 -4.232910438e+00 -4.232910438e+00 3.00 -4.191162598e+00 -4.191162598e+00 3.02 -4.145297777e+00 -4.145297777e+00 3.04 -4.095612623e+00 -4.095612623e+00 3.06 -4.042481084e+00 -4.042481084e+00 3.08 -3.986348254e+00 -3.986348254e+00 3.10 -3.927669895e+00 -3.927669895e+00 3.12 -3.866871081e+00 -3.866871081e+00 3.14 -3.804320758e+00 -3.804320758e+00 3.16 -3.740315157e+00 -3.740315157e+00 3.18 -3.675072025e+00 -3.675072025e+00 3.20 -3.608734635e+00 -3.608734635e+00 3.22 -3.541383193e+00 -3.541383193e+00 3.24 -3.473050578e+00 -3.473050578e+00 3.26 -3.403739670e+00 -3.403739670e+00 3.28 -3.333440317e+00 -3.333440317e+00 3.30 -3.262144807e+00 -3.262144807e+00 3.32 -3.189861302e+00 -3.189861302e+00 3.34 -3.116625030e+00 -3.116625030e+00 3.36 -3.042507054e+00 -3.042507054e+00 3.38 -2.967620391e+00 -2.967620391e+00 3.40 -2.892123138e+00 -2.892123138e+00 3.42 -2.816218294e+00 -2.816218294e+00 3.44 -2.740149983e+00 -2.740149983e+00 3.46 -2.664196217e+00 -2.664196217e+00 3.48 -2.588658550e+00 -2.588658550e+00 3.50 -2.513849448e+00 -2.513849448e+00 3.52 -2.440078533e+00 -2.440078533e+00 3.54 -2.367638979e+00 -2.367638979e+00 3.56 -2.296795348e+00 -2.296795348e+00 3.58 -2.227773903e+00 -2.227773903e+00 3.60 -2.160756066e+00 -2.160756066e+00 3.62 -2.095875241e+00 -2.095875241e+00 3.64 -2.033216828e+00 -2.033216828e+00 3.66 -1.972820917e+00 -1.972820917e+00 3.68 -1.914686980e+00 -1.914686980e+00 3.70 -1.858779811e+00 -1.858779811e+00 3.72 -1.805036016e+00 -1.805036016e+00 3.74 -1.753370487e+00 -1.753370487e+00 3.76 -1.703682444e+00 -1.703682444e+00 3.78 -1.655860772e+00 -1.655860772e+00 3.80 -1.609788543e+00 -1.609788543e+00 3.82 -1.565346677e+00 -1.565346677e+00 3.84 -1.522416805e+00 -1.522416805e+00 3.86 -1.480883396e+00 -1.480883396e+00 3.88 -1.440635276e+00 -1.440635276e+00 3.90 -1.401566612e+00 -1.401566612e+00 3.92 -1.363577477e+00 -1.363577477e+00 3.94 -1.326574121e+00 -1.326574121e+00 3.96 -1.290468927e+00 -1.290468927e+00 3.98 -1.255180289e+00 -1.255180289e+00 4.00 -1.220632379e+00 -1.220632379e+00 4.02 -1.186754938e+00 -1.186754938e+00 4.04 -1.153483167e+00 -1.153483167e+00 4.06 -1.120757788e+00 -1.120757788e+00 4.08 -1.088525351e+00 -1.088525351e+00 4.10 -1.056738816e+00 -1.056738816e+00 4.12 -1.025358540e+00 -1.025358540e+00 4.14 -9.943533280e-01 -9.943533280e-01 4.16 -9.637019280e-01 -9.637019280e-01 4.18 -9.333944757e-01 -9.333944757e-01 4.20 -9.034338474e-01 -9.034338474e-01 4.22 -8.738366499e-01 -8.738366499e-01 4.24 -8.446335777e-01 -8.446335777e-01 4.26 -8.158688819e-01 -8.158688819e-01 4.28 -7.875987612e-01 -7.875987612e-01 4.30 -7.598886079e-01 -7.598886079e-01 4.32 -7.328092028e-01 -7.328092028e-01 4.34 -7.064321336e-01 -7.064321336e-01 4.36 -6.808248623e-01 -6.808248623e-01 4.38 -6.560459545e-01 -6.560459545e-01 4.40 -6.321409825e-01 -6.321409825e-01 4.42 -6.091395137e-01 -6.091395137e-01 4.44 -5.870534283e-01 -5.870534283e-01 4.46 -5.658766132e-01 -5.658766132e-01 4.48 -5.455858913e-01 -5.455858913e-01 4.50 -5.261429182e-01 -5.261429182e-01 4.52 -5.074967064e-01 -5.074967064e-01 4.54 -4.895864454e-01 -4.895864454e-01 4.56 -4.723443302e-01 -4.723443302e-01 4.58 -4.556981928e-01 -4.556981928e-01 4.60 -4.395738170e-01 -4.395738170e-01 4.62 -4.238968900e-01 -4.238968900e-01 4.64 -4.085946097e-01 -4.085946097e-01 4.66 -3.935970019e-01 -3.935970019e-01 4.68 -3.788380250e-01 -3.788380250e-01 4.70 -3.642565458e-01 -3.642565458e-01 4.72 -3.497972627e-01 -3.497972627e-01 4.74 -3.354116359e-01 -3.354116359e-01 4.76 -3.210588625e-01 -3.210588625e-01 4.78 -3.067069065e-01 -3.067069065e-01 4.80 -2.923335494e-01 -2.923335494e-01 4.82 -2.779274774e-01 -2.779274774e-01 4.84 -2.634891359e-01 -2.634891359e-01 4.86 -2.490314821e-01 -2.490314821e-01 4.88 -2.345803212e-01 -2.345803212e-01 4.90 -2.201741602e-01 -2.201741602e-01 4.92 -2.058634529e-01 -2.058634529e-01 4.94 -1.917091666e-01 -1.917091666e-01 4.96 -1.777806547e-01 -1.777806547e-01 4.98 -1.641528985e-01 -1.641528985e-01 5.00 -1.509032675e-01 -1.509032675e-01 5.02 -1.381080291e-01 -1.381080291e-01 5.04 -1.258388577e-01 -1.258388577e-01 5.06 -1.141596299e-01 -1.141596299e-01 5.08 -1.031237590e-01 -1.031237590e-01 5.10 -9.277210064e-02 -9.277210064e-02 5.12 -8.313193973e-02 -8.313193973e-02 5.14 -7.421730739e-02 -7.421730739e-02 5.16 -6.602897274e-02 -6.602897274e-02 5.18 -5.855561664e-02 -5.855561664e-02 5.20 -5.177549047e-02 -5.177549047e-02 5.22 -4.565834601e-02 -4.565834601e-02 5.24 -4.016745938e-02 -4.016745938e-02 5.26 -3.526160148e-02 -3.526160148e-02 5.28 -3.089684541e-02 -3.089684541e-02 5.30 -2.702813690e-02 -2.702813690e-02 5.32 -2.361059862e-02 -2.361059862e-02 5.34 -2.060055692e-02 -2.060055692e-02 5.36 -1.795630187e-02 -1.795630187e-02 5.38 -1.563826512e-02 -1.563826512e-02 5.40 -1.361012844e-02 -1.361012844e-02 5.42 -1.183876964e-02 -1.183876964e-02 5.44 -1.029396139e-02 -1.029396139e-02 5.46 -8.948370637e-03 -8.948370637e-03 5.48 -7.777469359e-03 -7.777469359e-03 5.50 -6.759386413e-03 -6.759386413e-03 5.52 -5.874723400e-03 -5.874723400e-03 5.54 -5.106351803e-03 -5.106351803e-03 5.56 -4.439203954e-03 -4.439203954e-03 5.58 -3.860066638e-03 -3.860066638e-03 5.60 -3.357383253e-03 -3.357383253e-03 5.62 -2.921068209e-03 -2.921068209e-03 5.64 -2.542335642e-03 -2.542335642e-03 5.66 -2.213543353e-03 -2.213543353e-03 5.68 -1.928052022e-03 -1.928052022e-03 5.70 -1.680099261e-03 -1.680099261e-03 5.72 -1.464687662e-03 -1.464687662e-03 5.74 -1.277485835e-03 -1.277485835e-03 5.76 -1.114741314e-03 -1.114741314e-03 5.78 -9.732041906e-04 -9.732041906e-04 5.80 -8.500603599e-04 -8.500603599e-04 5.82 -7.428733116e-04 -7.428733116e-04 5.84 -6.495334836e-04 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