# 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 = AuPt2Zr # 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 4.732137973e+02 4.732137973e+02 1.30 4.428541129e+02 4.428541129e+02 1.32 4.145040423e+02 4.145040423e+02 1.34 3.880117722e+02 3.880117722e+02 1.36 3.632385235e+02 3.632385235e+02 1.38 3.400570234e+02 3.400570234e+02 1.40 3.183520883e+02 3.183520883e+02 1.42 2.980230547e+02 2.980230547e+02 1.44 2.789819052e+02 2.789819052e+02 1.46 2.611467012e+02 2.611467012e+02 1.48 2.444368473e+02 2.444368473e+02 1.50 2.287734464e+02 2.287734464e+02 1.52 2.140814219e+02 2.140814219e+02 1.54 2.002901310e+02 2.002901310e+02 1.56 1.873327571e+02 1.873327571e+02 1.58 1.751456202e+02 1.751456202e+02 1.60 1.636686156e+02 1.636686156e+02 1.62 1.528465097e+02 1.528465097e+02 1.64 1.426303658e+02 1.426303658e+02 1.66 1.329780715e+02 1.329780715e+02 1.68 1.238540810e+02 1.238540810e+02 1.70 1.152283327e+02 1.152283327e+02 1.72 1.070746762e+02 1.070746762e+02 1.74 9.936874716e+01 9.936874716e+01 1.76 9.208589976e+01 9.208589976e+01 1.78 8.520011000e+01 8.520011000e+01 1.80 7.868459140e+01 7.868459140e+01 1.82 7.251355094e+01 7.251355094e+01 1.84 6.666437833e+01 6.666437833e+01 1.86 6.111901282e+01 6.111901282e+01 1.88 5.586399104e+01 5.586399104e+01 1.90 5.089241386e+01 5.089241386e+01 1.92 4.621966455e+01 4.621966455e+01 1.94 4.191092149e+01 4.191092149e+01 1.96 3.794717615e+01 3.794717615e+01 1.98 3.430002605e+01 3.430002605e+01 2.00 3.094263446e+01 3.094263446e+01 2.02 2.785034161e+01 2.785034161e+01 2.04 2.500088859e+01 2.500088859e+01 2.06 2.237438712e+01 2.237438712e+01 2.08 1.995315569e+01 1.995315569e+01 2.10 1.772145165e+01 1.772145165e+01 2.12 1.566508656e+01 1.566508656e+01 2.14 1.377104185e+01 1.377104185e+01 2.16 1.202714230e+01 1.202714230e+01 2.18 1.042189422e+01 1.042189422e+01 2.20 8.944490780e+00 8.944490780e+00 2.22 7.584883780e+00 7.584883780e+00 2.24 6.333855986e+00 6.333855986e+00 2.26 5.183045445e+00 5.183045445e+00 2.28 4.124931230e+00 4.124931230e+00 2.30 3.152761995e+00 3.152761995e+00 2.32 2.260496404e+00 2.260496404e+00 2.34 1.442684918e+00 1.442684918e+00 2.36 6.943899734e-01 6.943899734e-01 2.38 1.109033975e-02 1.109033975e-02 2.40 -6.114008945e-01 -6.114008945e-01 2.42 -1.177013838e+00 -1.177013838e+00 2.44 -1.689483976e+00 -1.689483976e+00 2.46 -2.152410879e+00 -2.152410879e+00 2.48 -2.569297213e+00 -2.569297213e+00 2.50 -2.943569694e+00 -2.943569694e+00 2.52 -3.278579911e+00 -3.278579911e+00 2.54 -3.577585627e+00 -3.577585627e+00 2.56 -3.843715238e+00 -3.843715238e+00 2.58 -4.079921828e+00 -4.079921828e+00 2.60 -4.288937530e+00 -4.288937530e+00 2.62 -4.473239042e+00 -4.473239042e+00 2.64 -4.635037682e+00 -4.635037682e+00 2.66 -4.776320061e+00 -4.776320061e+00 2.68 -4.898803654e+00 -4.898803654e+00 2.70 -5.003925403e+00 -5.003925403e+00 2.72 -5.092963176e+00 -5.092963176e+00 2.74 -5.167763370e+00 -5.167763370e+00 2.76 -5.231027380e+00 -5.231027380e+00 2.78 -5.283233066e+00 -5.283233066e+00 2.80 -5.324742719e+00 -5.324742719e+00 2.82 -5.355921245e+00 -5.355921245e+00 2.84 -5.377097749e+00 -5.377097749e+00 2.86 -5.388553662e+00 -5.388553662e+00 2.88 -5.390615793e+00 -5.390615793e+00 2.90 -5.383673611e+00 -5.383673611e+00 2.92 -5.368189069e+00 -5.368189069e+00 2.94 -5.344703249e+00 -5.344703249e+00 2.96 -5.313835068e+00 -5.313835068e+00 2.98 -5.276268429e+00 -5.276268429e+00 3.00 -5.232727077e+00 -5.232727077e+00 3.02 -5.183942627e+00 -5.183942627e+00 3.04 -5.130666525e+00 -5.130666525e+00 3.06 -5.073517610e+00 -5.073517610e+00 3.08 -5.012998249e+00 -5.012998249e+00 3.10 -4.949528986e+00 -4.949528986e+00 3.12 -4.883447381e+00 -4.883447381e+00 3.14 -4.815030225e+00 -4.815030225e+00 3.16 -4.744491396e+00 -4.744491396e+00 3.18 -4.672010739e+00 -4.672010739e+00 3.20 -4.597745789e+00 -4.597745789e+00 3.22 -4.521844440e+00 -4.521844440e+00 3.24 -4.444452432e+00 -4.444452432e+00 3.26 -4.365723032e+00 -4.365723032e+00 3.28 -4.285823818e+00 -4.285823818e+00 3.30 -4.204937315e+00 -4.204937315e+00 3.32 -4.123257580e+00 -4.123257580e+00 3.34 -4.040983395e+00 -4.040983395e+00 3.36 -3.958309692e+00 -3.958309692e+00 3.38 -3.875419346e+00 -3.875419346e+00 3.40 -3.792476413e+00 -3.792476413e+00 3.42 -3.709626927e+00 -3.709626927e+00 3.44 -3.626993715e+00 -3.626993715e+00 3.46 -3.544682784e+00 -3.544682784e+00 3.48 -3.462785522e+00 -3.462785522e+00 3.50 -3.381381748e+00 -3.381381748e+00 3.52 -3.300541955e+00 -3.300541955e+00 3.54 -3.220328582e+00 -3.220328582e+00 3.56 -3.140796421e+00 -3.140796421e+00 3.58 -3.061992442e+00 -3.061992442e+00 3.60 -2.983955302e+00 -2.983955302e+00 3.62 -2.906714818e+00 -2.906714818e+00 3.64 -2.830291612e+00 -2.830291612e+00 3.66 -2.754710382e+00 -2.754710382e+00 3.68 -2.680051449e+00 -2.680051449e+00 3.70 -2.606394289e+00 -2.606394289e+00 3.72 -2.533796443e+00 -2.533796443e+00 3.74 -2.462297702e+00 -2.462297702e+00 3.76 -2.391924428e+00 -2.391924428e+00 3.78 -2.322693854e+00 -2.322693854e+00 3.80 -2.254618113e+00 -2.254618113e+00 3.82 -2.187707650e+00 -2.187707650e+00 3.84 -2.121973709e+00 -2.121973709e+00 3.86 -2.057429594e+00 -2.057429594e+00 3.88 -1.994090651e+00 -1.994090651e+00 3.90 -1.931973111e+00 -1.931973111e+00 3.92 -1.871091046e+00 -1.871091046e+00 3.94 -1.811459281e+00 -1.811459281e+00 3.96 -1.753084100e+00 -1.753084100e+00 3.98 -1.695968133e+00 -1.695968133e+00 4.00 -1.640109452e+00 -1.640109452e+00 4.02 -1.585503203e+00 -1.585503203e+00 4.04 -1.532143993e+00 -1.532143993e+00 4.06 -1.480028611e+00 -1.480028611e+00 4.08 -1.429158591e+00 -1.429158591e+00 4.10 -1.379538713e+00 -1.379538713e+00 4.12 -1.331192783e+00 -1.331192783e+00 4.14 -1.284140221e+00 -1.284140221e+00 4.16 -1.238411296e+00 -1.238411296e+00 4.18 -1.194040251e+00 -1.194040251e+00 4.20 -1.151061969e+00 -1.151061969e+00 4.22 -1.109508124e+00 -1.109508124e+00 4.24 -1.069403301e+00 -1.069403301e+00 4.26 -1.030761560e+00 -1.030761560e+00 4.28 -9.935838352e-01 -9.935838352e-01 4.30 -9.578564009e-01 -9.578564009e-01 4.32 -9.235504737e-01 -9.235504737e-01 4.34 -8.906228289e-01 -8.906228289e-01 4.36 -8.590172103e-01 -8.590172103e-01 4.38 -8.286662592e-01 -8.286662592e-01 4.40 -7.994936980e-01 -7.994936980e-01 4.42 -7.714165545e-01 -7.714165545e-01 4.44 -7.443472759e-01 -7.443472759e-01 4.46 -7.181956502e-01 -7.181956502e-01 4.48 -6.928705016e-01 -6.928705016e-01 4.50 -6.682811681e-01 -6.682811681e-01 4.52 -6.443387968e-01 -6.443387968e-01 4.54 -6.209575081e-01 -6.209575081e-01 4.56 -5.980554900e-01 -5.980554900e-01 4.58 -5.755560848e-01 -5.755560848e-01 4.60 -5.533889256e-01 -5.533889256e-01 4.62 -5.314911664e-01 -5.314911664e-01 4.64 -5.098088268e-01 -5.098088268e-01 4.66 -4.882982435e-01 -4.882982435e-01 4.68 -4.669275828e-01 -4.669275828e-01 4.70 -4.456783251e-01 -4.456783251e-01 4.72 -4.245465921e-01 -4.245465921e-01 4.74 -4.035441502e-01 -4.035441502e-01 4.76 -3.826989006e-01 -3.826989006e-01 4.78 -3.620546712e-01 -3.620546712e-01 4.80 -3.416671044e-01 -3.416671044e-01 4.82 -3.216143761e-01 -3.216143761e-01 4.84 -3.019743233e-01 -3.019743233e-01 4.86 -2.828346359e-01 -2.828346359e-01 4.88 -2.642848683e-01 -2.642848683e-01 4.90 -2.464118788e-01 -2.464118788e-01 4.92 -2.292954081e-01 -2.292954081e-01 4.94 -2.130041722e-01 -2.130041722e-01 4.96 -1.975927871e-01 -1.975927871e-01 4.98 -1.830997380e-01 -1.830997380e-01 5.00 -1.695464766e-01 -1.695464766e-01 5.02 -1.569376032e-01 -1.569376032e-01 5.04 -1.452619850e-01 -1.452619850e-01 5.06 -1.344945925e-01 -1.344945925e-01 5.08 -1.245988030e-01 -1.245988030e-01 5.10 -1.155289286e-01 -1.155289286e-01 5.12 -1.072327589e-01 -1.072327589e-01 5.14 -9.965395231e-02 -9.965395231e-02 5.16 -9.273416788e-02 -9.273416788e-02 5.18 -8.641487514e-02 -8.641487514e-02 5.20 -8.063881992e-02 -8.063881992e-02 5.22 -7.535116094e-02 -7.535116094e-02 5.24 -7.050030389e-02 -7.050030389e-02 5.26 -6.603841460e-02 -6.603841460e-02 5.28 -6.192169827e-02 -6.192169827e-02 5.30 -5.811110367e-02 -5.811110367e-02 5.32 -5.457194015e-02 -5.457194015e-02 5.34 -5.127380856e-02 -5.127380856e-02 5.36 -4.819049238e-02 -4.819049238e-02 5.38 -4.529976528e-02 -4.529976528e-02 5.40 -4.258312866e-02 -4.258312866e-02 5.42 -4.002548734e-02 -4.002548734e-02 5.44 -3.761477056e-02 -3.761477056e-02 5.46 -3.534150643e-02 -3.534150643e-02 5.48 -3.319836227e-02 -3.319836227e-02 5.50 -3.117966698e-02 -3.117966698e-02 5.52 -2.928093654e-02 -2.928093654e-02 5.54 -2.749842732e-02 -2.749842732e-02 5.56 -2.582873897e-02 -2.582873897e-02 5.58 -2.426848656e-02 -2.426848656e-02 5.60 -2.281404910e-02 -2.281404910e-02 5.62 -2.146126298e-02 -2.146126298e-02 5.64 -2.020569562e-02 -2.020569562e-02 5.66 -1.904251626e-02 -1.904251626e-02 5.68 -1.796644262e-02 -1.796644262e-02 5.70 -1.697184601e-02 -1.697184601e-02 5.72 -1.605287633e-02 -1.605287633e-02 5.74 -1.520359138e-02 -1.520359138e-02 5.76 -1.441807844e-02 -1.441807844e-02 5.78 -1.369056012e-02 -1.369056012e-02 5.80 -1.301548015e-02 -1.301548015e-02 5.82 -1.238756775e-02 -1.238756775e-02 5.84 -1.180188145e-02 -1.180188145e-02 5.86 -1.125383476e-02 -1.125383476e-02 5.88 -1.073920671e-02 -1.073920671e-02 5.90 -1.025414076e-02 -1.025414076e-02 5.92 -9.795135173e-03 -9.795135173e-03 5.94 -9.359027890e-03 -9.359027890e-03 5.96 -8.942978367e-03 -8.942978367e-03 5.98 -8.544448354e-03 -8.544448354e-03 6.00 -8.161183179e-03 -8.161183179e-03