# 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 = Mo2TaTi # 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 3.279578328e+02 3.279578328e+02 1.30 3.037917571e+02 3.037917571e+02 1.32 2.814419398e+02 2.814419398e+02 1.34 2.607525385e+02 2.607525385e+02 1.36 2.415810992e+02 2.415810992e+02 1.38 2.237987946e+02 2.237987946e+02 1.40 2.072904748e+02 2.072904748e+02 1.42 1.919539307e+02 1.919539307e+02 1.44 1.776982957e+02 1.776982957e+02 1.46 1.644419925e+02 1.644419925e+02 1.48 1.521107946e+02 1.521107946e+02 1.50 1.406365698e+02 1.406365698e+02 1.52 1.299569157e+02 1.299569157e+02 1.54 1.200153338e+02 1.200153338e+02 1.56 1.107613193e+02 1.107613193e+02 1.58 1.021498952e+02 1.021498952e+02 1.60 9.414052930e+01 9.414052930e+01 1.62 8.669576724e+01 8.669576724e+01 1.64 7.978002295e+01 7.978002295e+01 1.66 7.335879365e+01 7.335879365e+01 1.68 6.739835603e+01 6.739835603e+01 1.70 6.186587013e+01 6.186587013e+01 1.72 5.672973827e+01 5.672973827e+01 1.74 5.196002319e+01 5.196002319e+01 1.76 4.752875347e+01 4.752875347e+01 1.78 4.341005987e+01 4.341005987e+01 1.80 3.958020935e+01 3.958020935e+01 1.82 3.601761674e+01 3.601761674e+01 1.84 3.270282752e+01 3.270282752e+01 1.86 2.961840747e+01 2.961840747e+01 1.88 2.675062039e+01 2.675062039e+01 1.90 2.408833306e+01 2.408833306e+01 1.92 2.162020239e+01 2.162020239e+01 1.94 1.933614370e+01 1.933614370e+01 1.96 1.722355284e+01 1.722355284e+01 1.98 1.527036326e+01 1.527036326e+01 2.00 1.346504637e+01 1.346504637e+01 2.02 1.179662969e+01 1.179662969e+01 2.04 1.025472245e+01 1.025472245e+01 2.06 8.829542240e+00 8.829542240e+00 2.08 7.511943324e+00 7.511943324e+00 2.10 6.293444870e+00 6.293444870e+00 2.12 5.166254617e+00 5.166254617e+00 2.14 4.123282832e+00 4.123282832e+00 2.16 3.158141976e+00 3.158141976e+00 2.18 2.265124893e+00 2.265124893e+00 2.20 1.439154405e+00 1.439154405e+00 2.22 6.757022201e-01 6.757022201e-01 2.24 -2.931423038e-02 -2.931423038e-02 2.26 -6.796405449e-01 -6.796405449e-01 2.28 -1.278781502e+00 -1.278781502e+00 2.30 -1.830070751e+00 -1.830070751e+00 2.32 -2.336709103e+00 -2.336709103e+00 2.34 -2.801772490e+00 -2.801772490e+00 2.36 -3.228198842e+00 -3.228198842e+00 2.38 -3.618764472e+00 -3.618764472e+00 2.40 -3.976060790e+00 -3.976060790e+00 2.42 -4.302478016e+00 -4.302478016e+00 2.44 -4.600198273e+00 -4.600198273e+00 2.46 -4.871198192e+00 -4.871198192e+00 2.48 -5.117259104e+00 -5.117259104e+00 2.50 -5.339982232e+00 -5.339982232e+00 2.52 -5.540805973e+00 -5.540805973e+00 2.54 -5.721023217e+00 -5.721023217e+00 2.56 -5.881797987e+00 -5.881797987e+00 2.58 -6.024181921e+00 -6.024181921e+00 2.60 -6.149076585e+00 -6.149076585e+00 2.62 -6.257334645e+00 -6.257334645e+00 2.64 -6.349859437e+00 -6.349859437e+00 2.66 -6.427496765e+00 -6.427496765e+00 2.68 -6.491051072e+00 -6.491051072e+00 2.70 -6.541298203e+00 -6.541298203e+00 2.72 -6.578993571e+00 -6.578993571e+00 2.74 -6.604795645e+00 -6.604795645e+00 2.76 -6.619232524e+00 -6.619232524e+00 2.78 -6.623150715e+00 -6.623150715e+00 2.80 -6.617288865e+00 -6.617288865e+00 2.82 -6.602371597e+00 -6.602371597e+00 2.84 -6.579125435e+00 -6.579125435e+00 2.86 -6.548309648e+00 -6.548309648e+00 2.88 -6.510593700e+00 -6.510593700e+00 2.90 -6.466544498e+00 -6.466544498e+00 2.92 -6.416259949e+00 -6.416259949e+00 2.94 -6.359745128e+00 -6.359745128e+00 2.96 -6.297098240e+00 -6.297098240e+00 2.98 -6.228500917e+00 -6.228500917e+00 3.00 -6.154203950e+00 -6.154203950e+00 3.02 -6.074449259e+00 -6.074449259e+00 3.04 -5.989425599e+00 -5.989425599e+00 3.06 -5.899337456e+00 -5.899337456e+00 3.08 -5.804385713e+00 -5.804385713e+00 3.10 -5.704744751e+00 -5.704744751e+00 3.12 -5.600547040e+00 -5.600547040e+00 3.14 -5.491877729e+00 -5.491877729e+00 3.16 -5.378778424e+00 -5.378778424e+00 3.18 -5.261259415e+00 -5.261259415e+00 3.20 -5.139317227e+00 -5.139317227e+00 3.22 -5.012955470e+00 -5.012955470e+00 3.24 -4.882207034e+00 -4.882207034e+00 3.26 -4.747156124e+00 -4.747156124e+00 3.28 -4.607958816e+00 -4.607958816e+00 3.30 -4.464860791e+00 -4.464860791e+00 3.32 -4.318210793e+00 -4.318210793e+00 3.34 -4.168468391e+00 -4.168468391e+00 3.36 -4.016204729e+00 -4.016204729e+00 3.38 -3.862095437e+00 -3.862095437e+00 3.40 -3.706905399e+00 -3.706905399e+00 3.42 -3.551466036e+00 -3.551466036e+00 3.44 -3.396646235e+00 -3.396646235e+00 3.46 -3.243319355e+00 -3.243319355e+00 3.48 -3.092328725e+00 -3.092328725e+00 3.50 -2.944454612e+00 -2.944454612e+00 3.52 -2.800385335e+00 -2.800385335e+00 3.54 -2.660694749e+00 -2.660694749e+00 3.56 -2.525827616e+00 -2.525827616e+00 3.58 -2.396093650e+00 -2.396093650e+00 3.60 -2.271670244e+00 -2.271670244e+00 3.62 -2.152613244e+00 -2.152613244e+00 3.64 -2.038874437e+00 -2.038874437e+00 3.66 -1.930323890e+00 -1.930323890e+00 3.68 -1.826774823e+00 -1.826774823e+00 3.70 -1.728008605e+00 -1.728008605e+00 3.72 -1.633797639e+00 -1.633797639e+00 3.74 -1.543924346e+00 -1.543924346e+00 3.76 -1.458195111e+00 -1.458195111e+00 3.78 -1.376448680e+00 -1.376448680e+00 3.80 -1.298559123e+00 -1.298559123e+00 3.82 -1.224433977e+00 -1.224433977e+00 3.84 -1.154008535e+00 -1.154008535e+00 3.86 -1.087237515e+00 -1.087237515e+00 3.88 -1.024085420e+00 -1.024085420e+00 3.90 -9.645168436e-01 -9.645168436e-01 3.92 -9.084877845e-01 -9.084877845e-01 3.94 -8.559389576e-01 -8.559389576e-01 3.96 -8.067910791e-01 -8.067910791e-01 3.98 -7.609429322e-01 -7.609429322e-01 4.00 -7.182715111e-01 -7.182715111e-01 4.02 -6.786340730e-01 -6.786340730e-01 4.04 -6.418715532e-01 -6.418715532e-01 4.06 -6.078127922e-01 -6.078127922e-01 4.08 -5.762789095e-01 -5.762789095e-01 4.10 -5.470878739e-01 -5.470878739e-01 4.12 -5.200591149e-01 -5.200591149e-01 4.14 -4.950159469e-01 -4.950159469e-01 4.16 -4.717887230e-01 -4.717887230e-01 4.18 -4.502167807e-01 -4.502167807e-01 4.20 -4.301498166e-01 -4.301498166e-01 4.22 -4.114486752e-01 -4.114486752e-01 4.24 -3.939856527e-01 -3.939856527e-01 4.26 -3.776444195e-01 -3.776444195e-01 4.28 -3.623196563e-01 -3.623196563e-01 4.30 -3.479164893e-01 -3.479164893e-01 4.32 -3.343497963e-01 -3.343497963e-01 4.34 -3.215434380e-01 -3.215434380e-01 4.36 -3.094294619e-01 -3.094294619e-01 4.38 -2.979473087e-01 -2.979473087e-01 4.40 -2.870430457e-01 -2.870430457e-01 4.42 -2.766686413e-01 -2.766686413e-01 4.44 -2.667812919e-01 -2.667812919e-01 4.46 -2.573428025e-01 -2.573428025e-01 4.48 -2.483190267e-01 -2.483190267e-01 4.50 -2.396793606e-01 -2.396793606e-01 4.52 -2.313962932e-01 -2.313962932e-01 4.54 -2.234450049e-01 -2.234450049e-01 4.56 -2.158030152e-01 -2.158030152e-01 4.58 -2.084498724e-01 -2.084498724e-01 4.60 -2.013668841e-01 -2.013668841e-01 4.62 -1.945368835e-01 -1.945368835e-01 4.64 -1.879440308e-01 -1.879440308e-01 4.66 -1.815736458e-01 -1.815736458e-01 4.68 -1.754120723e-01 -1.754120723e-01 4.70 -1.694465712e-01 -1.694465712e-01 4.72 -1.636652438e-01 -1.636652438e-01 4.74 -1.580569854e-01 -1.580569854e-01 4.76 -1.526114680e-01 -1.526114680e-01 4.78 -1.473191533e-01 -1.473191533e-01 4.80 -1.421712938e-01 -1.421712938e-01 4.82 -1.371601754e-01 -1.371601754e-01 4.84 -1.322789348e-01 -1.322789348e-01 4.86 -1.275218565e-01 -1.275218565e-01 4.88 -1.228844314e-01 -1.228844314e-01 4.90 -1.183634518e-01 -1.183634518e-01 4.92 -1.139570769e-01 -1.139570769e-01 4.94 -1.096648452e-01 -1.096648452e-01 4.96 -1.054876190e-01 -1.054876190e-01 4.98 -1.014274391e-01 -1.014274391e-01 5.00 -9.748728860e-02 -9.748728860e-02 5.02 -9.367077156e-02 -9.367077156e-02 5.04 -8.998172441e-02 -8.998172441e-02 5.06 -8.642379342e-02 -8.642379342e-02 5.08 -8.299996537e-02 -8.299996537e-02 5.10 -7.971217690e-02 -7.971217690e-02 5.12 -7.656132202e-02 -7.656132202e-02 5.14 -7.354684962e-02 -7.354684962e-02 5.16 -7.066669196e-02 -7.066669196e-02 5.18 -6.791732511e-02 -6.791732511e-02 5.20 -6.529392173e-02 -6.529392173e-02 5.22 -6.279056753e-02 -6.279056753e-02 5.24 -6.040051099e-02 -6.040051099e-02 5.26 -5.811641849e-02 -5.811641849e-02 5.28 -5.593061323e-02 -5.593061323e-02 5.30 -5.383528323e-02 -5.383528323e-02 5.32 -5.182265103e-02 -5.182265103e-02 5.34 -4.988510485e-02 -4.988510485e-02 5.36 -4.801529279e-02 -4.801529279e-02 5.38 -4.620618570e-02 -4.620618570e-02 5.40 -4.445111671e-02 -4.445111671e-02 5.42 -4.274380453e-02 -4.274380453e-02 5.44 -4.107836735e-02 -4.107836735e-02 5.46 -3.944933377e-02 -3.944933377e-02 5.48 -3.785165589e-02 -3.785165589e-02 5.50 -3.628072880e-02 -3.628072880e-02 5.52 -3.473241944e-02 -3.473241944e-02 5.54 -3.320310718e-02 -3.320310718e-02 5.56 -3.168973336e-02 -3.168973336e-02 5.58 -3.018986397e-02 -3.018986397e-02 5.60 -2.870175951e-02 -2.870175951e-02 5.62 -2.722444751e-02 -2.722444751e-02 5.64 -2.575779149e-02 -2.575779149e-02 5.66 -2.430254851e-02 -2.430254851e-02 5.68 -2.286040577e-02 -2.286040577e-02 5.70 -2.143398667e-02 -2.143398667e-02 5.72 -2.002681687e-02 -2.002681687e-02 5.74 -1.864324351e-02 -1.864324351e-02 5.76 -1.728830086e-02 -1.728830086e-02 5.78 -1.596737449e-02 -1.596737449e-02 5.80 -1.468626515e-02 -1.468626515e-02 5.82 -1.345091498e-02 -1.345091498e-02 5.84 -1.226702112e-02 -1.226702112e-02 5.86 -1.113977419e-02 -1.113977419e-02 5.88 -1.007362485e-02 -1.007362485e-02 5.90 -9.072096285e-03 -9.072096285e-03 5.92 -8.137655810e-03 -8.137655810e-03 5.94 -7.271652176e-03 -7.271652176e-03 5.96 -6.474318283e-03 -6.474318283e-03 5.98 -5.744832726e-03 -5.744832726e-03 6.00 -5.081428930e-03 -5.081428930e-03