# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag2AuCu # 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 4.687799340e+02 4.687799340e+02 1.12 4.326544816e+02 4.326544816e+02 1.14 3.994669409e+02 3.994669409e+02 1.16 3.689570657e+02 3.689570657e+02 1.18 3.408883584e+02 3.408883584e+02 1.20 3.150448940e+02 3.150448940e+02 1.22 2.912299921e+02 2.912299921e+02 1.24 2.692664479e+02 2.692664479e+02 1.26 2.489971477e+02 2.489971477e+02 1.28 2.302830120e+02 2.302830120e+02 1.30 2.129987080e+02 2.129987080e+02 1.32 1.970290899e+02 1.970290899e+02 1.34 1.822676386e+02 1.822676386e+02 1.36 1.686163512e+02 1.686163512e+02 1.38 1.559858504e+02 1.559858504e+02 1.40 1.442945493e+02 1.442945493e+02 1.42 1.334678780e+02 1.334678780e+02 1.44 1.234373584e+02 1.234373584e+02 1.46 1.141398281e+02 1.141398281e+02 1.48 1.055176455e+02 1.055176455e+02 1.50 9.751842159e+01 9.751842159e+01 1.52 9.009471783e+01 9.009471783e+01 1.54 8.320356163e+01 8.320356163e+01 1.56 7.680533773e+01 7.680533773e+01 1.58 7.086327275e+01 7.086327275e+01 1.60 6.534330797e+01 6.534330797e+01 1.62 6.021396203e+01 6.021396203e+01 1.64 5.544652635e+01 5.544652635e+01 1.66 5.101474564e+01 5.101474564e+01 1.68 4.689461343e+01 4.689461343e+01 1.70 4.306422026e+01 4.306422026e+01 1.72 3.950341667e+01 3.950341667e+01 1.74 3.619357812e+01 3.619357812e+01 1.76 3.311725962e+01 3.311725962e+01 1.78 3.025798587e+01 3.025798587e+01 1.80 2.760017948e+01 2.760017948e+01 1.82 2.512925932e+01 2.512925932e+01 1.84 2.283228752e+01 2.283228752e+01 1.86 2.070252200e+01 2.070252200e+01 1.88 1.872927333e+01 1.872927333e+01 1.90 1.690295473e+01 1.690295473e+01 1.92 1.521348936e+01 1.521348936e+01 1.94 1.365086770e+01 1.365086770e+01 1.96 1.220577479e+01 1.220577479e+01 1.98 1.086963693e+01 1.086963693e+01 2.00 9.634585675e+00 9.634585675e+00 2.02 8.493436418e+00 8.493436418e+00 2.04 7.439620987e+00 7.439620987e+00 2.06 6.467097690e+00 6.467097690e+00 2.08 5.570234166e+00 5.570234166e+00 2.10 4.743782466e+00 4.743782466e+00 2.12 3.982810819e+00 3.982810819e+00 2.14 3.282702221e+00 3.282702221e+00 2.16 2.639132668e+00 2.639132668e+00 2.18 2.048055621e+00 2.048055621e+00 2.20 1.505735287e+00 1.505735287e+00 2.22 1.008674069e+00 1.008674069e+00 2.24 5.536571059e-01 5.536571059e-01 2.26 1.376666943e-01 1.376666943e-01 2.28 -2.420872706e-01 -2.420872706e-01 2.30 -5.882382652e-01 -5.882382652e-01 2.32 -9.032379533e-01 -9.032379533e-01 2.34 -1.189390233e+00 -1.189390233e+00 2.36 -1.448821133e+00 -1.448821133e+00 2.38 -1.683491235e+00 -1.683491235e+00 2.40 -1.895191905e+00 -1.895191905e+00 2.42 -2.085564801e+00 -2.085564801e+00 2.44 -2.256123136e+00 -2.256123136e+00 2.46 -2.408275728e+00 -2.408275728e+00 2.48 -2.543350719e+00 -2.543350719e+00 2.50 -2.662612557e+00 -2.662612557e+00 2.52 -2.767261564e+00 -2.767261564e+00 2.54 -2.858463669e+00 -2.858463669e+00 2.56 -2.937329144e+00 -2.937329144e+00 2.58 -3.005006696e+00 -3.005006696e+00 2.60 -3.062655555e+00 -3.062655555e+00 2.62 -3.111191632e+00 -3.111191632e+00 2.64 -3.151198729e+00 -3.151198729e+00 2.66 -3.183264996e+00 -3.183264996e+00 2.68 -3.207969754e+00 -3.207969754e+00 2.70 -3.225859174e+00 -3.225859174e+00 2.72 -3.237441866e+00 -3.237441866e+00 2.74 -3.243179778e+00 -3.243179778e+00 2.76 -3.243511809e+00 -3.243511809e+00 2.78 -3.238934267e+00 -3.238934267e+00 2.80 -3.229920317e+00 -3.229920317e+00 2.82 -3.216597976e+00 -3.216597976e+00 2.84 -3.199088486e+00 -3.199088486e+00 2.86 -3.177526442e+00 -3.177526442e+00 2.88 -3.152062210e+00 -3.152062210e+00 2.90 -3.122861620e+00 -3.122861620e+00 2.92 -3.090110282e+00 -3.090110282e+00 2.94 -3.054016671e+00 -3.054016671e+00 2.96 -3.014825468e+00 -3.014825468e+00 2.98 -2.972811068e+00 -2.972811068e+00 3.00 -2.928269775e+00 -2.928269775e+00 3.02 -2.881518637e+00 -2.881518637e+00 3.04 -2.832889022e+00 -2.832889022e+00 3.06 -2.782722715e+00 -2.782722715e+00 3.08 -2.731356573e+00 -2.731356573e+00 3.10 -2.679111180e+00 -2.679111180e+00 3.12 -2.626278859e+00 -2.626278859e+00 3.14 -2.573111594e+00 -2.573111594e+00 3.16 -2.519816481e+00 -2.519816481e+00 3.18 -2.466554988e+00 -2.466554988e+00 3.20 -2.413445279e+00 -2.413445279e+00 3.22 -2.360570376e+00 -2.360570376e+00 3.24 -2.307984128e+00 -2.307984128e+00 3.26 -2.255725675e+00 -2.255725675e+00 3.28 -2.203818325e+00 -2.203818325e+00 3.30 -2.152279364e+00 -2.152279364e+00 3.32 -2.101126169e+00 -2.101126169e+00 3.34 -2.050377785e+00 -2.050377785e+00 3.36 -2.000056380e+00 -2.000056380e+00 3.38 -1.950184372e+00 -1.950184372e+00 3.40 -1.900805565e+00 -1.900805565e+00 3.42 -1.851949676e+00 -1.851949676e+00 3.44 -1.803653518e+00 -1.803653518e+00 3.46 -1.755957758e+00 -1.755957758e+00 3.48 -1.708900389e+00 -1.708900389e+00 3.50 -1.662518544e+00 -1.662518544e+00 3.52 -1.616845817e+00 -1.616845817e+00 3.54 -1.571910966e+00 -1.571910966e+00 3.56 -1.527739055e+00 -1.527739055e+00 3.58 -1.484347896e+00 -1.484347896e+00 3.60 -1.441751438e+00 -1.441751438e+00 3.62 -1.399957261e+00 -1.399957261e+00 3.64 -1.358968107e+00 -1.358968107e+00 3.66 -1.318782975e+00 -1.318782975e+00 3.68 -1.279397856e+00 -1.279397856e+00 3.70 -1.240806541e+00 -1.240806541e+00 3.72 -1.203002374e+00 -1.203002374e+00 3.74 -1.165978343e+00 -1.165978343e+00 3.76 -1.129730891e+00 -1.129730891e+00 3.78 -1.094256327e+00 -1.094256327e+00 3.80 -1.059556887e+00 -1.059556887e+00 3.82 -1.025633956e+00 -1.025633956e+00 3.84 -9.924947411e-01 -9.924947411e-01 3.86 -9.601436206e-01 -9.601436206e-01 3.88 -9.285873015e-01 -9.285873015e-01 3.90 -8.978278758e-01 -8.978278758e-01 3.92 -8.678646570e-01 -8.678646570e-01 3.94 -8.386914909e-01 -8.386914909e-01 3.96 -8.102920956e-01 -8.102920956e-01 3.98 -7.826574916e-01 -7.826574916e-01 4.00 -7.557594982e-01 -7.557594982e-01 4.02 -7.295696206e-01 -7.295696206e-01 4.04 -7.040569195e-01 -7.040569195e-01 4.06 -6.791874232e-01 -6.791874232e-01 4.08 -6.549252580e-01 -6.549252580e-01 4.10 -6.312358326e-01 -6.312358326e-01 4.12 -6.080855956e-01 -6.080855956e-01 4.14 -5.854424581e-01 -5.854424581e-01 4.16 -5.632786827e-01 -5.632786827e-01 4.18 -5.415706433e-01 -5.415706433e-01 4.20 -5.203008714e-01 -5.203008714e-01 4.22 -4.994564650e-01 -4.994564650e-01 4.24 -4.790330124e-01 -4.790330124e-01 4.26 -4.590330127e-01 -4.590330127e-01 4.28 -4.394650468e-01 -4.394650468e-01 4.30 -4.203454685e-01 -4.203454685e-01 4.32 -4.016960050e-01 -4.016960050e-01 4.34 -3.835427438e-01 -3.835427438e-01 4.36 -3.659145986e-01 -3.659145986e-01 4.38 -3.488416045e-01 -3.488416045e-01 4.40 -3.323529866e-01 -3.323529866e-01 4.42 -3.164735873e-01 -3.164735873e-01 4.44 -3.012249779e-01 -3.012249779e-01 4.46 -2.866224683e-01 -2.866224683e-01 4.48 -2.726726183e-01 -2.726726183e-01 4.50 -2.593752001e-01 -2.593752001e-01 4.52 -2.467218597e-01 -2.467218597e-01 4.54 -2.346961652e-01 -2.346961652e-01 4.56 -2.232738805e-01 -2.232738805e-01 4.58 -2.124251564e-01 -2.124251564e-01 4.60 -2.021148587e-01 -2.021148587e-01 4.62 -1.923046702e-01 -1.923046702e-01 4.64 -1.829527543e-01 -1.829527543e-01 4.66 -1.740171516e-01 -1.740171516e-01 4.68 -1.654559660e-01 -1.654559660e-01 4.70 -1.572283086e-01 -1.572283086e-01 4.72 -1.492956234e-01 -1.492956234e-01 4.74 -1.416226558e-01 -1.416226558e-01 4.76 -1.341776568e-01 -1.341776568e-01 4.78 -1.269329464e-01 -1.269329464e-01 4.80 -1.198659905e-01 -1.198659905e-01 4.82 -1.129592859e-01 -1.129592859e-01 4.84 -1.062003200e-01 -1.062003200e-01 4.86 -9.958237338e-02 -9.958237338e-02 4.88 -9.310429196e-02 -9.310429196e-02 4.90 -8.676976005e-02 -8.676976005e-02 4.92 -8.058753629e-02 -8.058753629e-02 4.94 -7.457077274e-02 -7.457077274e-02 4.96 -6.873590711e-02 -6.873590711e-02 4.98 -6.310159127e-02 -6.310159127e-02 5.00 -5.768798713e-02 -5.768798713e-02 5.02 -5.251527566e-02 -5.251527566e-02 5.04 -4.760207969e-02 -4.760207969e-02 5.06 -4.296486962e-02 -4.296486962e-02 5.08 -3.861686448e-02 -3.861686448e-02 5.10 -3.456702477e-02 -3.456702477e-02 5.12 -3.081982572e-02 -3.081982572e-02 5.14 -2.737516522e-02 -2.737516522e-02 5.16 -2.422911712e-02 -2.422911712e-02 5.18 -2.137339302e-02 -2.137339302e-02 5.20 -1.879634856e-02 -1.879634856e-02 5.22 -1.648348368e-02 -1.648348368e-02 5.24 -1.441802154e-02 -1.441802154e-02 5.26 -1.258233203e-02 -1.258233203e-02 5.28 -1.095789857e-02 -1.095789857e-02 5.30 -9.526104434e-03 -9.526104434e-03 5.32 -8.268428399e-03 -8.268428399e-03 5.34 -7.167172776e-03 -7.167172776e-03 5.36 -6.205512559e-03 -6.205512559e-03 5.38 -5.367791126e-03 -5.367791126e-03 5.40 -4.639537440e-03 -4.639537440e-03 5.42 -4.007573473e-03 -4.007573473e-03 5.44 -3.460041459e-03 -3.460041459e-03 5.46 -2.986236208e-03 -2.986236208e-03 5.48 -2.576685785e-03 -2.576685785e-03 5.50 -2.222978753e-03 -2.222978753e-03 5.52 -1.917728536e-03 -1.917728536e-03 5.54 -1.654431180e-03 -1.654431180e-03 5.56 -1.427414528e-03 -1.427414528e-03 5.58 -1.231749510e-03 -1.231749510e-03 5.60 -1.061024594e-03 -1.061024594e-03 5.62 -9.160013524e-04 -9.160013524e-04 5.64 -7.910335628e-04 -7.910335628e-04 5.66 -6.833401510e-04 -6.833401510e-04 5.68 -5.905218750e-04 -5.905218750e-04 5.70 -5.105079516e-04 -5.105079516e-04 5.72 -4.415192607e-04 -4.415192607e-04 5.74 -3.820145101e-04 -3.820145101e-04 5.76 -3.306775495e-04 -3.306775495e-04 5.78 -2.863714150e-04 -2.863714150e-04 5.80 -2.481173456e-04 -2.481173456e-04 5.82 -2.150774772e-04 -2.150774772e-04 5.84 -1.865276761e-04 -1.865276761e-04 5.86 -1.618481477e-04 -1.618481477e-04 5.88 -1.405035540e-04 -1.405035540e-04 5.90 -1.220356837e-04 -1.220356837e-04 5.92 -1.060489879e-04 -1.060489879e-04 5.94 -9.220282697e-05 -9.220282697e-05 5.96 -8.020574760e-05 -8.020574760e-05 5.98 -6.980515722e-05 -6.980515722e-05 6.00 -6.078427221e-05 -6.078427221e-05