# 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 = Ni2PdTa # 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 2.218416430e+02 2.218416430e+02 1.30 2.048397298e+02 2.048397298e+02 1.32 1.891087499e+02 1.891087499e+02 1.34 1.745444853e+02 1.745444853e+02 1.36 1.610544773e+02 1.610544773e+02 1.38 1.485549733e+02 1.485549733e+02 1.40 1.369693839e+02 1.369693839e+02 1.42 1.262282177e+02 1.262282177e+02 1.44 1.162692301e+02 1.162692301e+02 1.46 1.070368081e+02 1.070368081e+02 1.48 9.848047233e+01 9.848047233e+01 1.50 9.055299659e+01 9.055299659e+01 1.52 8.320882629e+01 8.320882629e+01 1.54 7.640335096e+01 7.640335096e+01 1.56 7.009317995e+01 7.009317995e+01 1.58 6.423706479e+01 6.423706479e+01 1.60 5.879692759e+01 5.879692759e+01 1.62 5.373862212e+01 5.373862212e+01 1.64 4.903220501e+01 4.903220501e+01 1.66 4.465161253e+01 4.465161253e+01 1.68 4.057388476e+01 4.057388476e+01 1.70 3.677854237e+01 3.677854237e+01 1.72 3.325056311e+01 3.325056311e+01 1.74 2.997282282e+01 2.997282282e+01 1.76 2.693186756e+01 2.693186756e+01 1.78 2.412401324e+01 2.412401324e+01 1.80 2.153392734e+01 2.153392734e+01 1.82 1.914678892e+01 1.914678892e+01 1.84 1.694905355e+01 1.694905355e+01 1.86 1.492812857e+01 1.492812857e+01 1.88 1.307208907e+01 1.307208907e+01 1.90 1.136945664e+01 1.136945664e+01 1.92 9.809057012e+00 9.809057012e+00 1.94 8.379973098e+00 8.379973098e+00 1.96 7.071592873e+00 7.071592873e+00 1.98 5.873729783e+00 5.873729783e+00 2.00 4.776781557e+00 4.776781557e+00 2.02 3.771890242e+00 3.771890242e+00 2.04 2.851068104e+00 2.851068104e+00 2.06 2.007260557e+00 2.007260557e+00 2.08 1.234331855e+00 1.234331855e+00 2.10 5.269803775e-01 5.269803775e-01 2.12 -1.193915348e-01 -1.193915348e-01 2.14 -7.088225648e-01 -7.088225648e-01 2.16 -1.244928611e+00 -1.244928611e+00 2.18 -1.731018255e+00 -1.731018255e+00 2.20 -2.170184417e+00 -2.170184417e+00 2.22 -2.565373128e+00 -2.565373128e+00 2.24 -2.919432053e+00 -2.919432053e+00 2.26 -3.235143654e+00 -3.235143654e+00 2.28 -3.515250441e+00 -3.515250441e+00 2.30 -3.762478462e+00 -3.762478462e+00 2.32 -3.979557240e+00 -3.979557240e+00 2.34 -4.169141706e+00 -4.169141706e+00 2.36 -4.333897841e+00 -4.333897841e+00 2.38 -4.476733997e+00 -4.476733997e+00 2.40 -4.600337353e+00 -4.600337353e+00 2.42 -4.707077778e+00 -4.707077778e+00 2.44 -4.798968185e+00 -4.798968185e+00 2.46 -4.877490055e+00 -4.877490055e+00 2.48 -4.943530329e+00 -4.943530329e+00 2.50 -4.997909362e+00 -4.997909362e+00 2.52 -5.041421700e+00 -5.041421700e+00 2.54 -5.074812070e+00 -5.074812070e+00 2.56 -5.098762652e+00 -5.098762652e+00 2.58 -5.113891440e+00 -5.113891440e+00 2.60 -5.120760103e+00 -5.120760103e+00 2.62 -5.119887993e+00 -5.119887993e+00 2.64 -5.111769655e+00 -5.111769655e+00 2.66 -5.096885751e+00 -5.096885751e+00 2.68 -5.075718868e+00 -5.075718868e+00 2.70 -5.048767165e+00 -5.048767165e+00 2.72 -5.016821330e+00 -5.016821330e+00 2.74 -4.980413493e+00 -4.980413493e+00 2.76 -4.939875401e+00 -4.939875401e+00 2.78 -4.895546186e+00 -4.895546186e+00 2.80 -4.847736965e+00 -4.847736965e+00 2.82 -4.796574311e+00 -4.796574311e+00 2.84 -4.742105561e+00 -4.742105561e+00 2.86 -4.684408552e+00 -4.684408552e+00 2.88 -4.623615511e+00 -4.623615511e+00 2.90 -4.559921281e+00 -4.559921281e+00 2.92 -4.493537690e+00 -4.493537690e+00 2.94 -4.424685298e+00 -4.424685298e+00 2.96 -4.353586141e+00 -4.353586141e+00 2.98 -4.280455081e+00 -4.280455081e+00 3.00 -4.205491846e+00 -4.205491846e+00 3.02 -4.128875578e+00 -4.128875578e+00 3.04 -4.050762810e+00 -4.050762810e+00 3.06 -3.971288815e+00 -3.971288815e+00 3.08 -3.890571560e+00 -3.890571560e+00 3.10 -3.808717250e+00 -3.808717250e+00 3.12 -3.725826545e+00 -3.725826545e+00 3.14 -3.642000838e+00 -3.642000838e+00 3.16 -3.557348200e+00 -3.557348200e+00 3.18 -3.471988763e+00 -3.471988763e+00 3.20 -3.386059299e+00 -3.386059299e+00 3.22 -3.299716651e+00 -3.299716651e+00 3.24 -3.213139549e+00 -3.213139549e+00 3.26 -3.126528291e+00 -3.126528291e+00 3.28 -3.040101816e+00 -3.040101816e+00 3.30 -2.954091953e+00 -2.954091953e+00 3.32 -2.868734996e+00 -2.868734996e+00 3.34 -2.784261242e+00 -2.784261242e+00 3.36 -2.700883539e+00 -2.700883539e+00 3.38 -2.618786164e+00 -2.618786164e+00 3.40 -2.538115361e+00 -2.538115361e+00 3.42 -2.458972655e+00 -2.458972655e+00 3.44 -2.381411596e+00 -2.381411596e+00 3.46 -2.305438140e+00 -2.305438140e+00 3.48 -2.231014338e+00 -2.231014338e+00 3.50 -2.158064725e+00 -2.158064725e+00 3.52 -2.086484581e+00 -2.086484581e+00 3.54 -2.016149226e+00 -2.016149226e+00 3.56 -1.946923597e+00 -1.946923597e+00 3.58 -1.878671499e+00 -1.878671499e+00 3.60 -1.811264118e+00 -1.811264118e+00 3.62 -1.744587541e+00 -1.744587541e+00 3.64 -1.678549162e+00 -1.678549162e+00 3.66 -1.613082961e+00 -1.613082961e+00 3.68 -1.548153664e+00 -1.548153664e+00 3.70 -1.483759785e+00 -1.483759785e+00 3.72 -1.419935500e+00 -1.419935500e+00 3.74 -1.356751235e+00 -1.356751235e+00 3.76 -1.294312787e+00 -1.294312787e+00 3.78 -1.232758763e+00 -1.232758763e+00 3.80 -1.172256159e+00 -1.172256159e+00 3.82 -1.112993994e+00 -1.112993994e+00 3.84 -1.055175095e+00 -1.055175095e+00 3.86 -9.990063511e-01 -9.990063511e-01 3.88 -9.446880567e-01 -9.446880567e-01 3.90 -8.924031738e-01 -8.924031738e-01 3.92 -8.423075156e-01 -8.423075156e-01 3.94 -7.945218404e-01 -7.945218404e-01 3.96 -7.491266512e-01 -7.491266512e-01 3.98 -7.061601454e-01 -7.061601454e-01 4.00 -6.656193084e-01 -6.656193084e-01 4.02 -6.274637188e-01 -6.274637188e-01 4.04 -5.916213129e-01 -5.916213129e-01 4.06 -5.579952010e-01 -5.579952010e-01 4.08 -5.264706526e-01 -5.264706526e-01 4.10 -4.969215257e-01 -4.969215257e-01 4.12 -4.692156602e-01 -4.692156602e-01 4.14 -4.432190171e-01 -4.432190171e-01 4.16 -4.187985953e-01 -4.187985953e-01 4.18 -3.958243250e-01 -3.958243250e-01 4.20 -3.741702489e-01 -3.741702489e-01 4.22 -3.537153198e-01 -3.537153198e-01 4.24 -3.343441050e-01 -3.343441050e-01 4.26 -3.159475996e-01 -3.159475996e-01 4.28 -2.984242511e-01 -2.984242511e-01 4.30 -2.816811966e-01 -2.816811966e-01 4.32 -2.656356319e-01 -2.656356319e-01 4.34 -2.502161770e-01 -2.502161770e-01 4.36 -2.353640652e-01 -2.353640652e-01 4.38 -2.210339706e-01 -2.210339706e-01 4.40 -2.071943003e-01 -2.071943003e-01 4.42 -1.938268049e-01 -1.938268049e-01 4.44 -1.809254232e-01 -1.809254232e-01 4.46 -1.684943604e-01 -1.684943604e-01 4.48 -1.565455021e-01 -1.565455021e-01 4.50 -1.450953722e-01 -1.450953722e-01 4.52 -1.341619290e-01 -1.341619290e-01 4.54 -1.237615370e-01 -1.237615370e-01 4.56 -1.139064387e-01 -1.139064387e-01 4.58 -1.046029764e-01 -1.046029764e-01 4.60 -9.585068929e-02 -9.585068929e-02 4.62 -8.764228945e-02 -8.764228945e-02 4.64 -7.996440651e-02 -7.996440651e-02 4.66 -7.279886930e-02 -7.279886930e-02 4.68 -6.612425123e-02 -6.612425123e-02 4.70 -5.991742958e-02 -5.991742958e-02 4.72 -5.415497824e-02 -5.415497824e-02 4.74 -4.881391733e-02 -4.881391733e-02 4.76 -4.387307004e-02 -4.387307004e-02 4.78 -3.931320356e-02 -3.931320356e-02 4.80 -3.511654534e-02 -3.511654534e-02 4.82 -3.126652572e-02 -3.126652572e-02 4.84 -2.774734878e-02 -2.774734878e-02 4.86 -2.454351660e-02 -2.454351660e-02 4.88 -2.163939996e-02 -2.163939996e-02 4.90 -1.901892235e-02 -1.901892235e-02 4.92 -1.666539171e-02 -1.666539171e-02 4.94 -1.456124766e-02 -1.456124766e-02 4.96 -1.268854330e-02 -1.268854330e-02 4.98 -1.102937788e-02 -1.102937788e-02 5.00 -9.565707787e-03 -9.565707787e-03 5.02 -8.279663326e-03 -8.279663326e-03 5.04 -7.153848454e-03 -7.153848454e-03 5.06 -6.171598562e-03 -6.171598562e-03 5.08 -5.317183814e-03 -5.317183814e-03 5.10 -4.575953850e-03 -4.575953850e-03 5.12 -3.934426051e-03 -3.934426051e-03 5.14 -3.380323693e-03 -3.380323693e-03 5.16 -2.902572521e-03 -2.902572521e-03 5.18 -2.491264941e-03 -2.491264941e-03 5.20 -2.137600707e-03 -2.137600707e-03 5.22 -1.833811959e-03 -1.833811959e-03 5.24 -1.573079215e-03 -1.573079215e-03 5.26 -1.349443539e-03 -1.349443539e-03 5.28 -1.157718838e-03 -1.157718838e-03 5.30 -9.934071057e-04 -9.934071057e-04 5.32 -8.526185073e-04 -8.526185073e-04 5.34 -7.319974380e-04 -7.319974380e-04 5.36 -6.286551387e-04 -6.286551387e-04 5.38 -5.401090232e-04 -5.401090232e-04 5.40 -4.642285883e-04 -4.642285883e-04 5.42 -3.991875808e-04 -3.991875808e-04 5.44 -3.434219827e-04 -3.434219827e-04 5.46 -2.955933113e-04 -2.955933113e-04 5.48 -2.545567093e-04 -2.545567093e-04 5.50 -2.193333086e-04 -2.193333086e-04 5.52 -1.890863700e-04 -1.890863700e-04 5.54 -1.631007396e-04 -1.631007396e-04 5.56 -1.407651987e-04 -1.407651987e-04 5.58 -1.215573268e-04 -1.215573268e-04 5.60 -1.050305403e-04 -1.050305403e-04 5.62 -9.080300608e-05 -9.080300608e-05 5.64 -7.854816861e-05 -7.854816861e-05 5.66 -6.798666091e-05 -6.798666091e-05 5.68 -5.887940154e-05 -5.887940154e-05 5.70 -5.102170585e-05 -5.102170585e-05 5.72 -4.423826368e-05 -4.423826368e-05 5.74 -3.837885678e-05 -3.837885678e-05 5.76 -3.331470694e-05 -3.331470694e-05 5.78 -2.893536202e-05 -2.893536202e-05 5.80 -2.514604017e-05 -2.514604017e-05 5.82 -2.186536441e-05 -2.186536441e-05 5.84 -1.902342985e-05 -1.902342985e-05 5.86 -1.656015397e-05 -1.656015397e-05 5.88 -1.442386831e-05 -1.442386831e-05 5.90 -1.257011557e-05 -1.257011557e-05 5.92 -1.096062191e-05 -1.096062191e-05 5.94 -9.562418418e-06 -9.562418418e-06 5.96 -8.347089861e-06 -8.347089861e-06 5.98 -7.290131906e-06 -7.290131906e-06 6.00 -6.370400925e-06 -6.370400925e-06