# 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 = AuCoCu2 # 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 1.570543846e+02 1.570543846e+02 1.30 1.445083972e+02 1.445083972e+02 1.32 1.329365056e+02 1.329365056e+02 1.34 1.222604419e+02 1.222604419e+02 1.36 1.124076505e+02 1.124076505e+02 1.38 1.033109706e+02 1.033109706e+02 1.40 9.490876463e+01 9.490876463e+01 1.42 8.714486178e+01 8.714486178e+01 1.44 7.996802494e+01 7.996802494e+01 1.46 7.333125104e+01 7.333125104e+01 1.48 6.719143467e+01 6.719143467e+01 1.50 6.150942890e+01 6.150942890e+01 1.52 5.624989036e+01 5.624989036e+01 1.54 5.138058472e+01 5.138058472e+01 1.56 4.687158625e+01 4.687158625e+01 1.58 4.269489024e+01 4.269489024e+01 1.60 3.882987651e+01 3.882987651e+01 1.62 3.526286269e+01 3.526286269e+01 1.64 3.197176315e+01 3.197176315e+01 1.66 2.893557900e+01 2.893557900e+01 1.68 2.613516253e+01 2.613516253e+01 1.70 2.355298151e+01 2.355298151e+01 1.72 2.117286524e+01 2.117286524e+01 1.74 1.897986425e+01 1.897986425e+01 1.76 1.696014504e+01 1.696014504e+01 1.78 1.510090355e+01 1.510090355e+01 1.80 1.339026110e+01 1.339026110e+01 1.82 1.181715083e+01 1.181715083e+01 1.84 1.037123812e+01 1.037123812e+01 1.86 9.042887556e+00 9.042887556e+00 1.88 7.823144362e+00 7.823144362e+00 1.90 6.703695600e+00 6.703695600e+00 1.92 5.676805926e+00 5.676805926e+00 1.94 4.735251368e+00 4.735251368e+00 1.96 3.872284350e+00 3.872284350e+00 1.98 3.081648989e+00 3.081648989e+00 2.00 2.357631644e+00 2.357631644e+00 2.02 1.695100842e+00 1.695100842e+00 2.04 1.089491890e+00 1.089491890e+00 2.06 5.367276480e-01 5.367276480e-01 2.08 3.310623070e-02 3.310623070e-02 2.10 -4.248030301e-01 -4.248030301e-01 2.12 -8.402311670e-01 -8.402311670e-01 2.14 -1.216247028e+00 -1.216247028e+00 2.16 -1.555770909e+00 -1.555770909e+00 2.18 -1.861575619e+00 -1.861575619e+00 2.20 -2.136282437e+00 -2.136282437e+00 2.22 -2.382355818e+00 -2.382355818e+00 2.24 -2.602099549e+00 -2.602099549e+00 2.26 -2.797657944e+00 -2.797657944e+00 2.28 -2.971025554e+00 -2.971025554e+00 2.30 -3.124064380e+00 -3.124064380e+00 2.32 -3.258520466e+00 -3.258520466e+00 2.34 -3.376029143e+00 -3.376029143e+00 2.36 -3.478104699e+00 -3.478104699e+00 2.38 -3.566122160e+00 -3.566122160e+00 2.40 -3.641349389e+00 -3.641349389e+00 2.42 -3.704835088e+00 -3.704835088e+00 2.44 -3.757461222e+00 -3.757461222e+00 2.46 -3.800025690e+00 -3.800025690e+00 2.48 -3.833270557e+00 -3.833270557e+00 2.50 -3.857979607e+00 -3.857979607e+00 2.52 -3.874798914e+00 -3.874798914e+00 2.54 -3.884310167e+00 -3.884310167e+00 2.56 -3.887060256e+00 -3.887060256e+00 2.58 -3.883943050e+00 -3.883943050e+00 2.60 -3.875556229e+00 -3.875556229e+00 2.62 -3.861903152e+00 -3.861903152e+00 2.64 -3.843087046e+00 -3.843087046e+00 2.66 -3.819282364e+00 -3.819282364e+00 2.68 -3.790718141e+00 -3.790718141e+00 2.70 -3.757670523e+00 -3.757670523e+00 2.72 -3.720456328e+00 -3.720456328e+00 2.74 -3.679465840e+00 -3.679465840e+00 2.76 -3.635112307e+00 -3.635112307e+00 2.78 -3.587778049e+00 -3.587778049e+00 2.80 -3.537802315e+00 -3.537802315e+00 2.82 -3.485475992e+00 -3.485475992e+00 2.84 -3.431043658e+00 -3.431043658e+00 2.86 -3.374711782e+00 -3.374711782e+00 2.88 -3.316660415e+00 -3.316660415e+00 2.90 -3.257055630e+00 -3.257055630e+00 2.92 -3.196060773e+00 -3.196060773e+00 2.94 -3.133845542e+00 -3.133845542e+00 2.96 -3.070592557e+00 -3.070592557e+00 2.98 -3.006501262e+00 -3.006501262e+00 3.00 -2.941788827e+00 -2.941788827e+00 3.02 -2.876687530e+00 -2.876687530e+00 3.04 -2.811438249e+00 -2.811438249e+00 3.06 -2.746280390e+00 -2.746280390e+00 3.08 -2.681439640e+00 -2.681439640e+00 3.10 -2.617115845e+00 -2.617115845e+00 3.12 -2.553473526e+00 -2.553473526e+00 3.14 -2.490636796e+00 -2.490636796e+00 3.16 -2.428689155e+00 -2.428689155e+00 3.18 -2.367677420e+00 -2.367677420e+00 3.20 -2.307618317e+00 -2.307618317e+00 3.22 -2.248506184e+00 -2.248506184e+00 3.24 -2.190320589e+00 -2.190320589e+00 3.26 -2.133033111e+00 -2.133033111e+00 3.28 -2.076612955e+00 -2.076612955e+00 3.30 -2.021031306e+00 -2.021031306e+00 3.32 -1.966264473e+00 -1.966264473e+00 3.34 -1.912295892e+00 -1.912295892e+00 3.36 -1.859117105e+00 -1.859117105e+00 3.38 -1.806727796e+00 -1.806727796e+00 3.40 -1.755135051e+00 -1.755135051e+00 3.42 -1.704351992e+00 -1.704351992e+00 3.44 -1.654395991e+00 -1.654395991e+00 3.46 -1.605286667e+00 -1.605286667e+00 3.48 -1.557043885e+00 -1.557043885e+00 3.50 -1.509685905e+00 -1.509685905e+00 3.52 -1.463227843e+00 -1.463227843e+00 3.54 -1.417680515e+00 -1.417680515e+00 3.56 -1.373049716e+00 -1.373049716e+00 3.58 -1.329335968e+00 -1.329335968e+00 3.60 -1.286534710e+00 -1.286534710e+00 3.62 -1.244636930e+00 -1.244636930e+00 3.64 -1.203630206e+00 -1.203630206e+00 3.66 -1.163500109e+00 -1.163500109e+00 3.68 -1.124231900e+00 -1.124231900e+00 3.70 -1.085812427e+00 -1.085812427e+00 3.72 -1.048232062e+00 -1.048232062e+00 3.74 -1.011486493e+00 -1.011486493e+00 3.76 -9.755781217e-01 -9.755781217e-01 3.78 -9.405168076e-01 -9.405168076e-01 3.80 -9.063197269e-01 -9.063197269e-01 3.82 -8.730101983e-01 -8.730101983e-01 3.84 -8.406154741e-01 -8.406154741e-01 3.86 -8.091636810e-01 -8.091636810e-01 3.88 -7.786802696e-01 -7.786802696e-01 3.90 -7.491844553e-01 -7.491844553e-01 3.92 -7.206861538e-01 -7.206861538e-01 3.94 -6.931838247e-01 -6.931838247e-01 3.96 -6.666634546e-01 -6.666634546e-01 3.98 -6.410987106e-01 -6.410987106e-01 4.00 -6.164520975e-01 -6.164520975e-01 4.02 -5.926768421e-01 -5.926768421e-01 4.04 -5.697191862e-01 -5.697191862e-01 4.06 -5.475208060e-01 -5.475208060e-01 4.08 -5.260211491e-01 -5.260211491e-01 4.10 -5.051595674e-01 -5.051595674e-01 4.12 -4.848772078e-01 -4.848772078e-01 4.14 -4.651186541e-01 -4.651186541e-01 4.16 -4.458333730e-01 -4.458333730e-01 4.18 -4.269769800e-01 -4.269769800e-01 4.20 -4.085123472e-01 -4.085123472e-01 4.22 -3.904105363e-01 -3.904105363e-01 4.24 -3.726515195e-01 -3.726515195e-01 4.26 -3.552246305e-01 -3.552246305e-01 4.28 -3.381286892e-01 -3.381286892e-01 4.30 -3.213717566e-01 -3.213717566e-01 4.32 -3.049705031e-01 -3.049705031e-01 4.34 -2.889492039e-01 -2.889492039e-01 4.36 -2.733383954e-01 -2.733383954e-01 4.38 -2.581732404e-01 -2.581732404e-01 4.40 -2.434916503e-01 -2.434916503e-01 4.42 -2.293322229e-01 -2.293322229e-01 4.44 -2.157320637e-01 -2.157320637e-01 4.46 -2.027245923e-01 -2.027245923e-01 4.48 -1.903374659e-01 -1.903374659e-01 4.50 -1.785907780e-01 -1.785907780e-01 4.52 -1.674956934e-01 -1.674956934e-01 4.54 -1.570536467e-01 -1.570536467e-01 4.56 -1.472561736e-01 -1.472561736e-01 4.58 -1.380853704e-01 -1.380853704e-01 4.60 -1.295149018e-01 -1.295149018e-01 4.62 -1.215114239e-01 -1.215114239e-01 4.64 -1.140362639e-01 -1.140362639e-01 4.66 -1.070471931e-01 -1.070471931e-01 4.68 -1.005001626e-01 -1.005001626e-01 4.70 -9.435090112e-02 -9.435090112e-02 4.72 -8.855617704e-02 -8.855617704e-02 4.74 -8.307494332e-02 -8.307494332e-02 4.76 -7.787002827e-02 -7.787002827e-02 4.78 -7.290823036e-02 -7.290823036e-02 4.80 -6.816078320e-02 -6.816078320e-02 4.82 -6.360379777e-02 -6.360379777e-02 4.84 -5.921850566e-02 -5.921850566e-02 4.86 -5.499132340e-02 -5.499132340e-02 4.88 -5.091372683e-02 -5.091372683e-02 4.90 -4.698193207e-02 -4.698193207e-02 4.92 -4.319637856e-02 -4.319637856e-02 4.94 -3.956102151e-02 -3.956102151e-02 4.96 -3.608245963e-02 -3.608245963e-02 4.98 -3.276894533e-02 -3.276894533e-02 5.00 -2.962934405e-02 -2.962934405e-02 5.02 -2.667212207e-02 -2.667212207e-02 5.04 -2.390444337e-02 -2.390444337e-02 5.06 -2.133144351e-02 -2.133144351e-02 5.08 -1.895572871e-02 -1.895572871e-02 5.10 -1.677712097e-02 -1.677712097e-02 5.12 -1.479263756e-02 -1.479263756e-02 5.14 -1.299667314e-02 -1.299667314e-02 5.16 -1.138109867e-02 -1.138109867e-02 5.18 -9.936148818e-03 -9.936148818e-03 5.20 -8.650917116e-03 -8.650917116e-03 5.22 -7.513515001e-03 -7.513515001e-03 5.24 -6.511547910e-03 -6.511547910e-03 5.26 -5.632526240e-03 -5.632526240e-03 5.28 -4.864200066e-03 -4.864200066e-03 5.30 -4.194815708e-03 -4.194815708e-03 5.32 -3.613298846e-03 -3.613298846e-03 5.34 -3.109372875e-03 -3.109372875e-03 5.36 -2.673623144e-03 -2.673623144e-03 5.38 -2.297518141e-03 -2.297518141e-03 5.40 -1.973398058e-03 -1.973398058e-03 5.42 -1.694439964e-03 -1.694439964e-03 5.44 -1.454607329e-03 -1.454607329e-03 5.46 -1.248590153e-03 -1.248590153e-03 5.48 -1.071740487e-03 -1.071740487e-03 5.50 -9.200069418e-04 -9.200069418e-04 5.52 -7.898707024e-04 -7.898707024e-04 5.54 -6.782847411e-04 -6.782847411e-04 5.56 -5.826172796e-04 -5.826172796e-04 5.58 -5.006000503e-04 -5.006000503e-04 5.60 -4.302815608e-04 -4.302815608e-04 5.62 -3.699853166e-04 -3.699853166e-04 5.64 -3.182727901e-04 -3.182727901e-04 5.66 -2.739108270e-04 -2.739108270e-04 5.68 -2.358431224e-04 -2.358431224e-04 5.70 -2.031653786e-04 -2.031653786e-04 5.72 -1.751037540e-04 -1.751037540e-04 5.74 -1.509962313e-04 -1.509962313e-04 5.76 -1.302765509e-04 -1.302765509e-04 5.78 -1.124603900e-04 -1.124603900e-04 5.80 -9.713349534e-05 -9.713349534e-05 5.82 -8.394150834e-05 -8.394150834e-05 5.84 -7.258125323e-05 -7.258125323e-05 5.86 -6.279328435e-05 -6.279328435e-05 5.88 -5.435551613e-05 -5.435551613e-05 5.90 -4.707778152e-05 -4.707778152e-05 5.92 -4.079718564e-05 -4.079718564e-05 5.94 -3.537413955e-05 -3.537413955e-05 5.96 -3.068897532e-05 -3.068897532e-05 5.98 -2.663905732e-05 -2.663905732e-05 6.00 -2.313631703e-05 -2.313631703e-05