# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Chenoweth-K-van-Duin-A-C-T-Goddard-W-A--C-H-O # implementation = 2008--Chenoweth-K--C-H-O--LAMMPS--ipr1 # composition = CHO2 # 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 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 -3.424488175e+01 -3.424488175e+01 1.70 -4.491200140e+01 -4.491200140e+01 1.72 -5.358866667e+01 -5.358866667e+01 1.74 -5.590612844e+01 -5.590612844e+01 1.76 -5.770593114e+01 -5.770593114e+01 1.78 -5.961481878e+01 -5.961481878e+01 1.80 -6.151127712e+01 -6.151127712e+01 1.82 -6.334063295e+01 -6.334063295e+01 1.84 -6.478917394e+01 -6.478917394e+01 1.86 -6.536783183e+01 -6.536783183e+01 1.88 -6.431998349e+01 -6.431998349e+01 1.90 -6.415281461e+01 -6.415281461e+01 1.92 -6.052852331e+01 -6.052852331e+01 1.94 -5.668832605e+01 -5.668832605e+01 1.96 -5.276059591e+01 -5.276059591e+01 1.98 -4.879642325e+01 -4.879642325e+01 2.00 -4.539860378e+01 -4.539860378e+01 2.02 -4.149522268e+01 -4.149522268e+01 2.04 -3.773094645e+01 -3.773094645e+01 2.06 -3.413522497e+01 -3.413522497e+01 2.08 -3.072122302e+01 -3.072122302e+01 2.10 -2.751524375e+01 -2.751524375e+01 2.12 -2.453586160e+01 -2.453586160e+01 2.14 -2.179447787e+01 -2.179447787e+01 2.16 -1.844517227e+01 -1.844517227e+01 2.18 -1.639393022e+01 -1.639393022e+01 2.20 -1.453806599e+01 -1.453806599e+01 2.22 -1.287146498e+01 -1.287146498e+01 2.24 -1.138521415e+01 -1.138521415e+01 2.26 -1.007440448e+01 -1.007440448e+01 2.28 -8.954118818e+00 -8.954118818e+00 2.30 -7.994839303e+00 -7.994839303e+00 2.32 -7.167287940e+00 -7.167287940e+00 2.34 -6.461122602e+00 -6.461122602e+00 2.36 -5.865752487e+00 -5.865752487e+00 2.38 -5.370608028e+00 -5.370608028e+00 2.40 -4.965308176e+00 -4.965308176e+00 2.42 -4.639802887e+00 -4.639802887e+00 2.44 -4.384525166e+00 -4.384525166e+00 2.46 -4.190479914e+00 -4.190479914e+00 2.48 -4.049238013e+00 -4.049238013e+00 2.50 -3.952987655e+00 -3.952987655e+00 2.52 -3.894585006e+00 -3.894585006e+00 2.54 -3.855929320e+00 -3.855929320e+00 2.56 -3.854741064e+00 -3.854741064e+00 2.58 -3.874207295e+00 -3.874207295e+00 2.60 -3.909966272e+00 -3.909966272e+00 2.62 -3.958253379e+00 -3.958253379e+00 2.64 -4.015853618e+00 -4.015853618e+00 2.66 -4.120404286e+00 -4.120404286e+00 2.68 -4.239704305e+00 -4.239704305e+00 2.70 -4.349765903e+00 -4.349765903e+00 2.72 -4.451135268e+00 -4.451135268e+00 2.74 -4.544294376e+00 -4.544294376e+00 2.76 -4.629665194e+00 -4.629665194e+00 2.78 -4.707630778e+00 -4.707630778e+00 2.80 -4.778553464e+00 -4.778553464e+00 2.82 -4.842777718e+00 -4.842777718e+00 2.84 -4.900631817e+00 -4.900631817e+00 2.86 -4.952429561e+00 -4.952429561e+00 2.88 -4.998471985e+00 -4.998471985e+00 2.90 -5.039049321e+00 -5.039049321e+00 2.92 -5.074452558e+00 -5.074452558e+00 2.94 -5.104995344e+00 -5.104995344e+00 2.96 -5.131006237e+00 -5.131006237e+00 2.98 -5.152798284e+00 -5.152798284e+00 3.00 -5.170662304e+00 -5.170662304e+00 3.02 -5.184868025e+00 -5.184868025e+00 3.04 -5.195665213e+00 -5.195665213e+00 3.06 -5.203284741e+00 -5.203284741e+00 3.08 -5.207939891e+00 -5.207939891e+00 3.10 -5.209831559e+00 -5.209831559e+00 3.12 -5.209154254e+00 -5.209154254e+00 3.14 -5.206097376e+00 -5.206097376e+00 3.16 -5.200845794e+00 -5.200845794e+00 3.18 -5.193580361e+00 -5.193580361e+00 3.20 -5.184478371e+00 -5.184478371e+00 3.22 -5.173713962e+00 -5.173713962e+00 3.24 -5.161458476e+00 -5.161458476e+00 3.26 -5.147880788e+00 -5.147880788e+00 3.28 -5.133147597e+00 -5.133147597e+00 3.30 -5.117423719e+00 -5.117423719e+00 3.32 -5.100872357e+00 -5.100872357e+00 3.34 -5.083655381e+00 -5.083655381e+00 3.36 -5.065931542e+00 -5.065931542e+00 3.38 -5.047847491e+00 -5.047847491e+00 3.40 -5.029533924e+00 -5.029533924e+00 3.42 -5.011106179e+00 -5.011106179e+00 3.44 -4.992664931e+00 -4.992664931e+00 3.46 -4.974296838e+00 -4.974296838e+00 3.48 -4.956075126e+00 -4.956075126e+00 3.50 -4.938060114e+00 -4.938060114e+00 3.52 -4.920299666e+00 -4.920299666e+00 3.54 -4.902829578e+00 -4.902829578e+00 3.56 -4.885674688e+00 -4.885674688e+00 3.58 -4.868853886e+00 -4.868853886e+00 3.60 -4.852383193e+00 -4.852383193e+00 3.62 -4.836276014e+00 -4.836276014e+00 3.64 -4.820543242e+00 -4.820543242e+00 3.66 -4.805193356e+00 -4.805193356e+00 3.68 -4.790232502e+00 -4.790232502e+00 3.70 -4.775664571e+00 -4.775664571e+00 3.72 -4.761491256e+00 -4.761491256e+00 3.74 -4.747712113e+00 -4.747712113e+00 3.76 -4.734324602e+00 -4.734324602e+00 3.78 -4.721324122e+00 -4.721324122e+00 3.80 -4.708704040e+00 -4.708704040e+00 3.82 -4.696455712e+00 -4.696455712e+00 3.84 -4.684568495e+00 -4.684568495e+00 3.86 -4.673029751e+00 -4.673029751e+00 3.88 -4.661824853e+00 -4.661824853e+00 3.90 -4.650937893e+00 -4.650937893e+00 3.92 -4.640354766e+00 -4.640354766e+00 3.94 -4.630064673e+00 -4.630064673e+00 3.96 -4.620060254e+00 -4.620060254e+00 3.98 -4.610337696e+00 -4.610337696e+00 4.00 -4.600896266e+00 -4.600896266e+00 4.02 -4.591735672e+00 -4.591735672e+00 4.04 -4.582854744e+00 -4.582854744e+00 4.06 -4.574251426e+00 -4.574251426e+00 4.08 -4.565922788e+00 -4.565922788e+00 4.10 -4.557865052e+00 -4.557865052e+00 4.12 -4.550073603e+00 -4.550073603e+00 4.14 -4.542543003e+00 -4.542543003e+00 4.16 -4.535267001e+00 -4.535267001e+00 4.18 -4.528238539e+00 -4.528238539e+00 4.20 -4.521449759e+00 -4.521449759e+00 4.22 -4.514892003e+00 -4.514892003e+00 4.24 -4.508555818e+00 -4.508555818e+00 4.26 -4.502430951e+00 -4.502430951e+00 4.28 -4.496506350e+00 -4.496506350e+00 4.30 -4.490770158e+00 -4.490770158e+00 4.32 -4.485209712e+00 -4.485209712e+00 4.34 -4.479811536e+00 -4.479811536e+00 4.36 -4.474561500e+00 -4.474561500e+00 4.38 -4.469445315e+00 -4.469445315e+00 4.40 -4.464448718e+00 -4.464448718e+00 4.42 -4.459557492e+00 -4.459557492e+00 4.44 -4.454757484e+00 -4.454757484e+00 4.46 -4.450034626e+00 -4.450034626e+00 4.48 -4.445374956e+00 -4.445374956e+00 4.50 -4.440764642e+00 -4.440764642e+00 4.52 -4.436190000e+00 -4.436190000e+00 4.54 -4.431637522e+00 -4.431637522e+00 4.56 -4.427093893e+00 -4.427093893e+00 4.58 -4.422546023e+00 -4.422546023e+00 4.60 -4.417981067e+00 -4.417981067e+00 4.62 -4.413386449e+00 -4.413386449e+00 4.64 -4.408749892e+00 -4.408749892e+00 4.66 -4.404059440e+00 -4.404059440e+00 4.68 -4.399303483e+00 -4.399303483e+00 4.70 -4.394470787e+00 -4.394470787e+00 4.72 -4.389550518e+00 -4.389550518e+00 4.74 -4.384532265e+00 -4.384532265e+00 4.76 -4.379406067e+00 -4.379406067e+00 4.78 -4.374162441e+00 -4.374162441e+00 4.80 -4.368792399e+00 -4.368792399e+00 4.82 -4.363287457e+00 -4.363287457e+00 4.84 -4.357639764e+00 -4.357639764e+00 4.86 -4.351841902e+00 -4.351841902e+00 4.88 -4.345887130e+00 -4.345887130e+00 4.90 -4.339769290e+00 -4.339769290e+00 4.92 -4.333482850e+00 -4.333482850e+00 4.94 -4.327022919e+00 -4.327022919e+00 4.96 -4.320385260e+00 -4.320385260e+00 4.98 -4.313566304e+00 -4.313566304e+00 5.00 -4.306563164e+00 -4.306563164e+00 5.02 -4.299373663e+00 -4.299373663e+00 5.04 -4.291996603e+00 -4.291996603e+00 5.06 -4.284432033e+00 -4.284432033e+00 5.08 -4.276681272e+00 -4.276681272e+00 5.10 -4.268746911e+00 -4.268746911e+00 5.12 -4.260632809e+00 -4.260632809e+00 5.14 -4.252344083e+00 -4.252344083e+00 5.16 -4.243887099e+00 -4.243887099e+00 5.18 -4.235269452e+00 -4.235269452e+00 5.20 -4.226499951e+00 -4.226499951e+00 5.22 -4.217588593e+00 -4.217588593e+00 5.24 -4.208546507e+00 -4.208546507e+00 5.26 -4.199385390e+00 -4.199385390e+00 5.28 -4.190116789e+00 -4.190116789e+00 5.30 -4.180752000e+00 -4.180752000e+00 5.32 -4.171302052e+00 -4.171302052e+00 5.34 -4.161777689e+00 -4.161777689e+00 5.36 -4.152189364e+00 -4.152189364e+00 5.38 -4.142547224e+00 -4.142547224e+00 5.40 -4.132861103e+00 -4.132861103e+00 5.42 -4.123140511e+00 -4.123140511e+00 5.44 -4.113394634e+00 -4.113394634e+00 5.46 -4.103632322e+00 -4.103632322e+00 5.48 -4.093862089e+00 -4.093862089e+00 5.50 -4.084092109e+00 -4.084092109e+00 5.52 -4.074330214e+00 -4.074330214e+00 5.54 -4.064583896e+00 -4.064583896e+00 5.56 -4.054860300e+00 -4.054860300e+00 5.58 -4.045166232e+00 -4.045166232e+00 5.60 -4.035508157e+00 -4.035508157e+00 5.62 -4.025892202e+00 -4.025892202e+00 5.64 -4.016324158e+00 -4.016324158e+00 5.66 -4.006809484e+00 -4.006809484e+00 5.68 -3.997353310e+00 -3.997353310e+00 5.70 -3.987960440e+00 -3.987960440e+00 5.72 -3.978635360e+00 -3.978635360e+00 5.74 -3.969382239e+00 -3.969382239e+00 5.76 -3.960204934e+00 -3.960204934e+00 5.78 -3.951106996e+00 -3.951106996e+00 5.80 -3.942091678e+00 -3.942091678e+00 5.82 -3.933161932e+00 -3.933161932e+00 5.84 -3.924320424e+00 -3.924320424e+00 5.86 -3.915569532e+00 -3.915569532e+00 5.88 -3.906911354e+00 -3.906911354e+00 5.90 -3.898347714e+00 -3.898347714e+00 5.92 -3.889880163e+00 -3.889880163e+00 5.94 -3.881509991e+00 -3.881509991e+00 5.96 -3.873238224e+00 -3.873238224e+00 5.98 -3.865065633e+00 -3.865065633e+00 6.00 -3.856992738e+00 -3.856992738e+00