# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = BrIdLi2 # 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 2022-05-24 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 nan nan 1.30 4.688709015e+06 4.688709015e+06 1.32 3.597140829e+06 3.597140829e+06 1.34 2.770578644e+06 2.770578644e+06 1.36 2.142095660e+06 2.142095660e+06 1.38 1.662306608e+06 1.662306608e+06 1.40 1.294606743e+06 1.294606743e+06 1.42 1.011746017e+06 1.011746017e+06 1.44 7.933523803e+05 7.933523803e+05 1.46 6.241337395e+05 6.241337395e+05 1.48 4.925649693e+05 4.925649693e+05 1.50 3.899261199e+05 3.899261199e+05 1.52 3.095953194e+05 3.095953194e+05 1.54 2.465251380e+05 2.465251380e+05 1.56 1.968544977e+05 1.968544977e+05 1.58 1.576196651e+05 1.576196651e+05 1.60 1.265381310e+05 1.265381310e+05 1.62 1.018460648e+05 1.018460648e+05 1.64 8.217610163e+04 8.217610163e+04 1.66 6.646495646e+04 6.646495646e+04 1.68 5.388332161e+04 5.388332161e+04 1.70 4.378236868e+04 4.378236868e+04 1.72 3.565313384e+04 3.565313384e+04 1.74 2.909511863e+04 2.909511863e+04 1.76 2.379236398e+04 2.379236398e+04 1.78 1.949493948e+04 1.949493948e+04 1.80 1.600461022e+04 1.600461022e+04 1.82 1.316372393e+04 1.316372393e+04 1.84 1.084667934e+04 1.084667934e+04 1.86 8.953052560e+03 8.953052560e+03 1.88 7.402458667e+03 7.402458667e+03 1.90 6.130355044e+03 6.130355044e+03 1.92 5.084804040e+03 5.084804040e+03 1.94 4.223921347e+03 4.223921347e+03 1.96 3.513861105e+03 3.513861105e+03 1.98 2.927207636e+03 2.927207636e+03 2.00 2.441717925e+03 2.441717925e+03 2.02 2.039322652e+03 2.039322652e+03 2.04 1.705293045e+03 1.705293045e+03 2.06 1.427602552e+03 1.427602552e+03 2.08 1.196421596e+03 1.196421596e+03 2.10 1.003696644e+03 1.003696644e+03 2.12 8.428173526e+02 8.428173526e+02 2.14 7.083490150e+02 7.083490150e+02 2.16 5.958180346e+02 5.958180346e+02 2.18 5.015290092e+02 5.015290092e+02 2.20 4.224362774e+02 4.224362774e+02 2.22 3.560236772e+02 3.560236772e+02 2.24 3.002007258e+02 3.002007258e+02 2.26 2.532322601e+02 2.532322601e+02 2.28 2.136768428e+02 2.136768428e+02 2.30 1.803349637e+02 1.803349637e+02 2.32 1.522067716e+02 1.522067716e+02 2.34 1.284579977e+02 1.284579977e+02 2.36 1.083913098e+02 1.083913098e+02 2.38 9.142451669e+01 9.142451669e+01 2.40 7.706835443e+01 7.706835443e+01 2.42 6.491249948e+01 6.491249948e+01 2.44 5.461653944e+01 5.461653944e+01 2.46 4.589160170e+01 4.589160170e+01 2.48 3.849514293e+01 3.849514293e+01 2.50 3.222179293e+01 3.222179293e+01 2.52 2.690142810e+01 2.690142810e+01 2.54 2.238857168e+01 2.238857168e+01 2.56 1.856041398e+01 1.856041398e+01 2.58 1.531367247e+01 1.531367247e+01 2.60 1.256045542e+01 1.256045542e+01 2.62 1.022665935e+01 1.022665935e+01 2.64 8.249489701e+00 8.249489701e+00 2.66 6.575770853e+00 6.575770853e+00 2.68 5.160235571e+00 5.160235571e+00 2.70 3.964444109e+00 3.964444109e+00 2.72 2.955729221e+00 2.955729221e+00 2.74 2.105423007e+00 2.105423007e+00 2.76 1.390221902e+00 1.390221902e+00 2.78 7.906331266e-01 7.906331266e-01 2.80 2.897423503e-01 2.897423503e-01 2.82 -1.271594137e-01 -1.271594137e-01 2.84 -4.726175848e-01 -4.726175848e-01 2.86 -7.573374621e-01 -7.573374621e-01 2.88 -9.904348810e-01 -9.904348810e-01 2.90 -1.179741540e+00 -1.179741540e+00 2.92 -1.331925742e+00 -1.331925742e+00 2.94 -1.452682677e+00 -1.452682677e+00 2.96 -1.547181006e+00 -1.547181006e+00 2.98 -1.619545663e+00 -1.619545663e+00 3.00 -1.672993967e+00 -1.672993967e+00 3.02 -1.710512192e+00 -1.710512192e+00 3.04 -1.734827011e+00 -1.734827011e+00 3.06 -1.748027238e+00 -1.748027238e+00 3.08 -1.751942227e+00 -1.751942227e+00 3.10 -1.748183758e+00 -1.748183758e+00 3.12 -1.738127738e+00 -1.738127738e+00 3.14 -1.722920055e+00 -1.722920055e+00 3.16 -1.703525721e+00 -1.703525721e+00 3.18 -1.680790264e+00 -1.680790264e+00 3.20 -1.655389088e+00 -1.655389088e+00 3.22 -1.627898579e+00 -1.627898579e+00 3.24 -1.598727153e+00 -1.598727153e+00 3.26 -1.568419878e+00 -1.568419878e+00 3.28 -1.537237566e+00 -1.537237566e+00 3.30 -1.505297800e+00 -1.505297800e+00 3.32 -1.472825679e+00 -1.472825679e+00 3.34 -1.440034459e+00 -1.440034459e+00 3.36 -1.407071269e+00 -1.407071269e+00 3.38 -1.374023228e+00 -1.374023228e+00 3.40 -1.340997472e+00 -1.340997472e+00 3.42 -1.308081142e+00 -1.308081142e+00 3.44 -1.275347409e+00 -1.275347409e+00 3.46 -1.242858546e+00 -1.242858546e+00 3.48 -1.210668342e+00 -1.210668342e+00 3.50 -1.178824014e+00 -1.178824014e+00 3.52 -1.147366662e+00 -1.147366662e+00 3.54 -1.116334878e+00 -1.116334878e+00 3.56 -1.085875748e+00 -1.085875748e+00 3.58 -1.055946790e+00 -1.055946790e+00 3.60 -1.026502855e+00 -1.026502855e+00 3.62 -9.975808155e-01 -9.975808155e-01 3.64 -9.692142232e-01 -9.692142232e-01 3.66 -9.414335323e-01 -9.414335323e-01 3.68 -9.142662401e-01 -9.142662401e-01 3.70 -8.877369559e-01 -8.877369559e-01 3.72 -8.620286003e-01 -8.620286003e-01 3.74 -8.370065848e-01 -8.370065848e-01 3.76 -8.126449514e-01 -8.126449514e-01 3.78 -7.889620327e-01 -7.889620327e-01 3.80 -7.659724005e-01 -7.659724005e-01 3.82 -7.436869012e-01 -7.436869012e-01 3.84 -7.221127050e-01 -7.221127050e-01 3.86 -7.012533729e-01 -7.012533729e-01 3.88 -6.811215585e-01 -6.811215585e-01 3.90 -6.617841502e-01 -6.617841502e-01 3.92 -6.431373052e-01 -6.431373052e-01 3.94 -6.251729351e-01 -6.251729351e-01 3.96 -6.078799176e-01 -6.078799176e-01 3.98 -5.912426268e-01 -5.912426268e-01 4.00 -5.752462106e-01 -5.752462106e-01 4.02 -5.598723468e-01 -5.598723468e-01 4.04 -5.451003359e-01 -5.451003359e-01 4.06 -5.309078187e-01 -5.309078187e-01 4.08 -5.172710787e-01 -5.172710787e-01 4.10 -5.041653405e-01 -5.041653405e-01 4.12 -4.915650611e-01 -4.915650611e-01 4.14 -4.794442073e-01 -4.794442073e-01 4.16 -4.677765160e-01 -4.677765160e-01 4.18 -4.565357336e-01 -4.565357336e-01 4.20 -4.456958319e-01 -4.456958319e-01 4.22 -4.353107653e-01 -4.353107653e-01 4.24 -4.252834257e-01 -4.252834257e-01 4.26 -4.155624557e-01 -4.155624557e-01 4.28 -4.061476216e-01 -4.061476216e-01 4.30 -3.970159347e-01 -3.970159347e-01 4.32 -3.881261625e-01 -3.881261625e-01 4.34 -3.794598122e-01 -3.794598122e-01 4.36 -3.710000144e-01 -3.710000144e-01 4.38 -3.627303872e-01 -3.627303872e-01 4.40 -3.546350485e-01 -3.546350485e-01 4.42 -3.466988777e-01 -3.466988777e-01 4.44 -3.389075319e-01 -3.389075319e-01 4.46 -3.312474538e-01 -3.312474538e-01 4.48 -3.237058738e-01 -3.237058738e-01 4.50 -3.163575143e-01 -3.163575143e-01 4.52 -3.091163247e-01 -3.091163247e-01 4.54 -3.019382737e-01 -3.019382737e-01 4.56 -2.948175157e-01 -2.948175157e-01 4.58 -2.877484280e-01 -2.877484280e-01 4.60 -2.807256788e-01 -2.807256788e-01 4.62 -2.737442934e-01 -2.737442934e-01 4.64 -2.667997191e-01 -2.667997191e-01 4.66 -2.598878862e-01 -2.598878862e-01 4.68 -2.530052656e-01 -2.530052656e-01 4.70 -2.461489217e-01 -2.461489217e-01 4.72 -2.393165587e-01 -2.393165587e-01 4.74 -2.325065607e-01 -2.325065607e-01 4.76 -2.257204778e-01 -2.257204778e-01 4.78 -2.189776085e-01 -2.189776085e-01 4.80 -2.122524365e-01 -2.122524365e-01 4.82 -2.055468777e-01 -2.055468777e-01 4.84 -1.988635417e-01 -1.988635417e-01 4.86 -1.922057240e-01 -1.922057240e-01 4.88 -1.855773915e-01 -1.855773915e-01 4.90 -1.789831588e-01 -1.789831588e-01 4.92 -1.724282537e-01 -1.724282537e-01 4.94 -1.659184749e-01 -1.659184749e-01 4.96 -1.594600472e-01 -1.594600472e-01 4.98 -1.530594459e-01 -1.530594459e-01 5.00 -1.467243039e-01 -1.467243039e-01 5.02 -1.404621118e-01 -1.404621118e-01 5.04 -1.342806072e-01 -1.342806072e-01 5.06 -1.281876951e-01 -1.281876951e-01 5.08 -1.221913646e-01 -1.221913646e-01 5.10 -1.162996056e-01 -1.162996056e-01 5.12 -1.105203246e-01 -1.105203246e-01 5.14 -1.048612623e-01 -1.048612623e-01 5.16 -9.932991270e-02 -9.932991270e-02 5.18 -9.393344660e-02 -9.393344660e-02 5.20 -8.867863874e-02 -8.867863874e-02 5.22 -8.357180088e-02 -8.357180088e-02 5.24 -7.862468844e-02 -7.862468844e-02 5.26 -7.391182309e-02 -7.391182309e-02 5.28 -6.935081938e-02 -6.935081938e-02 5.30 -6.494696646e-02 -6.494696646e-02 5.32 -6.070469424e-02 -6.070469424e-02 5.34 -5.662760112e-02 -5.662760112e-02 5.36 -5.271845075e-02 -5.271845075e-02 5.38 -4.897917679e-02 -4.897917679e-02 5.40 -4.541089544e-02 -4.541089544e-02 5.42 -4.201392532e-02 -4.201392532e-02 5.44 -3.878781434e-02 -3.878781434e-02 5.46 -3.573137293e-02 -3.573137293e-02 5.48 -3.284271291e-02 -3.284271291e-02 5.50 -3.011929154e-02 -3.011929154e-02 5.52 -2.755795974e-02 -2.755795974e-02 5.54 -2.515501382e-02 -2.515501382e-02 5.56 -2.290624995e-02 -2.290624995e-02 5.58 -2.080702052e-02 -2.080702052e-02 5.60 -1.885229158e-02 -1.885229158e-02 5.62 -1.703670070e-02 -1.703670070e-02 5.64 -1.535461442e-02 -1.535461442e-02 5.66 -1.380018464e-02 -1.380018464e-02 5.68 -1.236740342e-02 -1.236740342e-02 5.70 -1.105015553e-02 -1.105015553e-02 5.72 -9.842268346e-03 -9.842268346e-03 5.74 -8.737558591e-03 -8.737558591e-03 5.76 -7.729875736e-03 -7.729875736e-03 5.78 -6.813141651e-03 -6.813141651e-03 5.80 -5.981386419e-03 -5.981386419e-03 5.82 -5.228780163e-03 -5.228780163e-03 5.84 -4.549660845e-03 -4.549660845e-03 5.86 -3.938558063e-03 -3.938558063e-03 5.88 -3.390212908e-03 -3.390212908e-03 5.90 -2.899594013e-03 -2.899594013e-03 5.92 -2.461909957e-03 -2.461909957e-03 5.94 -2.072618224e-03 -2.072618224e-03 5.96 -1.727430965e-03 -1.727430965e-03 5.98 -1.422317797e-03 -1.422317797e-03 6.00 -1.153505935e-03 -1.153505935e-03