# 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 = AuNi2Ta # 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 2.257149524e+02 2.257149524e+02 1.30 2.084432966e+02 2.084432966e+02 1.32 1.924667458e+02 1.924667458e+02 1.34 1.776773859e+02 1.776773859e+02 1.36 1.639801137e+02 1.639801137e+02 1.38 1.512900102e+02 1.512900102e+02 1.40 1.395303182e+02 1.395303182e+02 1.42 1.286313300e+02 1.286313300e+02 1.44 1.185296808e+02 1.185296808e+02 1.46 1.091677037e+02 1.091677037e+02 1.48 1.004927237e+02 1.004927237e+02 1.50 9.245610181e+01 9.245610181e+01 1.52 8.501196282e+01 8.501196282e+01 1.54 7.811605323e+01 7.811605323e+01 1.56 7.172539170e+01 7.172539170e+01 1.58 6.579882978e+01 6.579882978e+01 1.60 6.029800652e+01 6.029800652e+01 1.62 5.518810263e+01 5.518810263e+01 1.64 5.043806466e+01 5.043806466e+01 1.66 4.602028331e+01 4.602028331e+01 1.68 4.190998113e+01 4.190998113e+01 1.70 3.808463120e+01 3.808463120e+01 1.72 3.452358087e+01 3.452358087e+01 1.74 3.121050222e+01 3.121050222e+01 1.76 2.813148084e+01 2.813148084e+01 1.78 2.527967312e+01 2.527967312e+01 1.80 2.264464076e+01 2.264464076e+01 1.82 2.021224912e+01 2.021224912e+01 1.84 1.796945803e+01 1.796945803e+01 1.86 1.590405491e+01 1.590405491e+01 1.88 1.400446776e+01 1.400446776e+01 1.90 1.225959213e+01 1.225959213e+01 1.92 1.065861259e+01 1.065861259e+01 1.94 9.190867558e+00 9.190867558e+00 1.96 7.845820640e+00 7.845820640e+00 1.98 6.613165897e+00 6.613165897e+00 2.00 5.483039896e+00 5.483039896e+00 2.02 4.446271308e+00 4.446271308e+00 2.04 3.494589268e+00 3.494589268e+00 2.06 2.620733453e+00 2.620733453e+00 2.08 1.818447972e+00 1.818447972e+00 2.10 1.082379114e+00 1.082379114e+00 2.12 4.079180557e-01 4.079180557e-01 2.14 -2.089700625e-01 -2.089700625e-01 2.16 -7.719023030e-01 -7.719023030e-01 2.18 -1.284205971e+00 -1.284205971e+00 2.20 -1.749015122e+00 -1.749015122e+00 2.22 -2.169336599e+00 -2.169336599e+00 2.24 -2.548088998e+00 -2.548088998e+00 2.26 -2.888121184e+00 -2.888121184e+00 2.28 -3.192220336e+00 -3.192220336e+00 2.30 -3.463119187e+00 -3.463119187e+00 2.32 -3.703504927e+00 -3.703504927e+00 2.34 -3.916021676e+00 -3.916021676e+00 2.36 -4.103194950e+00 -4.103194950e+00 2.38 -4.267411572e+00 -4.267411572e+00 2.40 -4.411238161e+00 -4.411238161e+00 2.42 -4.536976532e+00 -4.536976532e+00 2.44 -4.646598645e+00 -4.646598645e+00 2.46 -4.741754539e+00 -4.741754539e+00 2.48 -4.823735366e+00 -4.823735366e+00 2.50 -4.893274744e+00 -4.893274744e+00 2.52 -4.951001665e+00 -4.951001665e+00 2.54 -4.997581929e+00 -4.997581929e+00 2.56 -5.033698181e+00 -5.033698181e+00 2.58 -5.060036065e+00 -5.060036065e+00 2.60 -5.077274059e+00 -5.077274059e+00 2.62 -5.086075364e+00 -5.086075364e+00 2.64 -5.087081611e+00 -5.087081611e+00 2.66 -5.080909455e+00 -5.080909455e+00 2.68 -5.068150136e+00 -5.068150136e+00 2.70 -5.049368644e+00 -5.049368644e+00 2.72 -5.025111924e+00 -5.025111924e+00 2.74 -4.995914495e+00 -4.995914495e+00 2.76 -4.962354572e+00 -4.962354572e+00 2.78 -4.924857622e+00 -4.924857622e+00 2.80 -4.883779341e+00 -4.883779341e+00 2.82 -4.839440185e+00 -4.839440185e+00 2.84 -4.792037144e+00 -4.792037144e+00 2.86 -4.741577714e+00 -4.741577714e+00 2.88 -4.688074223e+00 -4.688074223e+00 2.90 -4.631567434e+00 -4.631567434e+00 2.92 -4.572118892e+00 -4.572118892e+00 2.94 -4.509808781e+00 -4.509808781e+00 2.96 -4.444739949e+00 -4.444739949e+00 2.98 -4.377035381e+00 -4.377035381e+00 3.00 -4.306835054e+00 -4.306835054e+00 3.02 -4.234292617e+00 -4.234292617e+00 3.04 -4.159571828e+00 -4.159571828e+00 3.06 -4.082842743e+00 -4.082842743e+00 3.08 -4.004277814e+00 -4.004277814e+00 3.10 -3.924048376e+00 -3.924048376e+00 3.12 -3.842322147e+00 -3.842322147e+00 3.14 -3.759262428e+00 -3.759262428e+00 3.16 -3.675029332e+00 -3.675029332e+00 3.18 -3.589783011e+00 -3.589783011e+00 3.20 -3.503688251e+00 -3.503688251e+00 3.22 -3.416919536e+00 -3.416919536e+00 3.24 -3.329665420e+00 -3.329665420e+00 3.26 -3.242131148e+00 -3.242131148e+00 3.28 -3.154538626e+00 -3.154538626e+00 3.30 -3.067123244e+00 -3.067123244e+00 3.32 -2.980127523e+00 -2.980127523e+00 3.34 -2.893792062e+00 -2.893792062e+00 3.36 -2.808344800e+00 -2.808344800e+00 3.38 -2.723989863e+00 -2.723989863e+00 3.40 -2.640897456e+00 -2.640897456e+00 3.42 -2.559196031e+00 -2.559196031e+00 3.44 -2.478967638e+00 -2.478967638e+00 3.46 -2.400246864e+00 -2.400246864e+00 3.48 -2.323023252e+00 -2.323023252e+00 3.50 -2.247246711e+00 -2.247246711e+00 3.52 -2.172835155e+00 -2.172835155e+00 3.54 -2.099683528e+00 -2.099683528e+00 3.56 -2.027673410e+00 -2.027673410e+00 3.58 -1.956682502e+00 -1.956682502e+00 3.60 -1.886593511e+00 -1.886593511e+00 3.62 -1.817302082e+00 -1.817302082e+00 3.64 -1.748723621e+00 -1.748723621e+00 3.66 -1.680798935e+00 -1.680798935e+00 3.68 -1.613498690e+00 -1.613498690e+00 3.70 -1.546826674e+00 -1.546826674e+00 3.72 -1.480821823e+00 -1.480821823e+00 3.74 -1.415558903e+00 -1.415558903e+00 3.76 -1.351147662e+00 -1.351147662e+00 3.78 -1.287730283e+00 -1.287730283e+00 3.80 -1.225476931e+00 -1.225476931e+00 3.82 -1.164579343e+00 -1.164579343e+00 3.84 -1.105242533e+00 -1.105242533e+00 3.86 -1.047674957e+00 -1.047674957e+00 3.88 -9.920776997e-01 -9.920776997e-01 3.90 -9.386335379e-01 -9.386335379e-01 3.92 -8.874968459e-01 -8.874968459e-01 3.94 -8.387853380e-01 -8.387853380e-01 3.96 -7.925744423e-01 -7.925744423e-01 3.98 -7.488947866e-01 -7.488947866e-01 4.00 -7.077328352e-01 -7.077328352e-01 4.02 -6.690343195e-01 -6.690343195e-01 4.04 -6.327098012e-01 -6.327098012e-01 4.06 -5.986415564e-01 -5.986415564e-01 4.08 -5.666909847e-01 -5.666909847e-01 4.10 -5.367058696e-01 -5.367058696e-01 4.12 -5.085270158e-01 -5.085270158e-01 4.14 -4.819939670e-01 -4.819939670e-01 4.16 -4.569497151e-01 -4.569497151e-01 4.18 -4.332443992e-01 -4.332443992e-01 4.20 -4.107380946e-01 -4.107380946e-01 4.22 -3.893028182e-01 -3.893028182e-01 4.24 -3.688238873e-01 -3.688238873e-01 4.26 -3.492007595e-01 -3.492007595e-01 4.28 -3.303474600e-01 -3.303474600e-01 4.30 -3.121926874e-01 -3.121926874e-01 4.32 -2.946796626e-01 -2.946796626e-01 4.34 -2.777657613e-01 -2.777657613e-01 4.36 -2.614219441e-01 -2.614219441e-01 4.38 -2.456319606e-01 -2.456319606e-01 4.40 -2.303912774e-01 -2.303912774e-01 4.42 -2.157056580e-01 -2.157056580e-01 4.44 -2.015893281e-01 -2.015893281e-01 4.46 -1.880626980e-01 -1.880626980e-01 4.48 -1.751496820e-01 -1.751496820e-01 4.50 -1.628747455e-01 -1.628747455e-01 4.52 -1.512598954e-01 -1.512598954e-01 4.54 -1.403218867e-01 -1.403218867e-01 4.56 -1.300699233e-01 -1.300699233e-01 4.58 -1.205040799e-01 -1.205040799e-01 4.60 -1.116145770e-01 -1.116145770e-01 4.62 -1.033819143e-01 -1.033819143e-01 4.64 -9.577777084e-02 -9.577777084e-02 4.66 -8.876649153e-02 -8.876649153e-02 4.68 -8.230693471e-02 -8.230693471e-02 4.70 -7.635444290e-02 -7.635444290e-02 4.72 -7.086276058e-02 -7.086276058e-02 4.74 -6.578550285e-02 -6.578550285e-02 4.76 -6.107806909e-02 -6.107806909e-02 4.78 -5.669917683e-02 -5.669917683e-02 4.80 -5.261106521e-02 -5.261106521e-02 4.82 -4.878008697e-02 -4.878008697e-02 4.84 -4.517710725e-02 -4.517710725e-02 4.86 -4.177766155e-02 -4.177766155e-02 4.88 -3.856190524e-02 -3.856190524e-02 4.90 -3.551439213e-02 -3.551439213e-02 4.92 -3.262370900e-02 -3.262370900e-02 4.94 -2.988199070e-02 -2.988199070e-02 4.96 -2.728434110e-02 -2.728434110e-02 4.98 -2.482818699e-02 -2.482818699e-02 5.00 -2.251259932e-02 -2.251259932e-02 5.02 -2.033761875e-02 -2.033761875e-02 5.04 -1.830362242e-02 -1.830362242e-02 5.06 -1.641076851e-02 -1.641076851e-02 5.08 -1.465854755e-02 -1.465854755e-02 5.10 -1.304527899e-02 -1.304527899e-02 5.12 -1.156816101e-02 -1.156816101e-02 5.14 -1.022345877e-02 -1.022345877e-02 5.16 -9.006179824e-03 -9.006179824e-03 5.18 -7.910221009e-03 -7.910221009e-03 5.20 -6.928577970e-03 -6.928577970e-03 5.22 -6.053586286e-03 -6.053586286e-03 5.24 -5.277169420e-03 -5.277169420e-03 5.26 -4.591073961e-03 -4.591073961e-03 5.28 -3.987078475e-03 -3.987078475e-03 5.30 -3.457167940e-03 -3.457167940e-03 5.32 -2.993670602e-03 -2.993670602e-03 5.34 -2.589357814e-03 -2.589357814e-03 5.36 -2.237509967e-03 -2.237509967e-03 5.38 -1.931953141e-03 -1.931953141e-03 5.40 -1.667071727e-03 -1.667071727e-03 5.42 -1.437802299e-03 -1.437802299e-03 5.44 -1.239613624e-03 -1.239613624e-03 5.46 -1.068477056e-03 -1.068477056e-03 5.48 -9.208308815e-04 -9.208308815e-04 5.50 -7.935414138e-04 -7.935414138e-04 5.52 -6.838630107e-04 -6.838630107e-04 5.54 -5.893985945e-04 -5.893985945e-04 5.56 -5.080617723e-04 -5.080617723e-04 5.58 -4.380412725e-04 -4.380412725e-04 5.60 -3.777681153e-04 -3.777681153e-04 5.62 -3.258857109e-04 -3.258857109e-04 5.64 -2.812229166e-04 -2.812229166e-04 5.66 -2.427699757e-04 -2.427699757e-04 5.68 -2.096571855e-04 -2.096571855e-04 5.70 -1.811360996e-04 -1.811360996e-04 5.72 -1.565630472e-04 -1.565630472e-04 5.74 -1.353847443e-04 -1.353847443e-04 5.76 -1.171257758e-04 -1.171257758e-04 5.78 -1.013777380e-04 -1.013777380e-04 5.80 -8.778984300e-05 -8.778984300e-05 5.82 -7.606080724e-05 -7.606080724e-05 5.84 -6.593185797e-05 -6.593185797e-05 5.86 -5.718071405e-05 -5.718071405e-05 5.88 -4.961641019e-05 -4.961641019e-05 5.90 -4.307485097e-05 -4.307485097e-05 5.92 -3.741499435e-05 -3.741499435e-05 5.94 -3.251557740e-05 -3.251557740e-05 5.96 -2.827230847e-05 -2.827230847e-05 5.98 -2.459545995e-05 -2.459545995e-05 6.00 -2.140780498e-05 -2.140780498e-05