# 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 = AuCo2Cu # 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 1.696970922e+02 1.696970922e+02 1.30 1.561175355e+02 1.561175355e+02 1.32 1.436019462e+02 1.436019462e+02 1.34 1.320618609e+02 1.320618609e+02 1.36 1.214160646e+02 1.214160646e+02 1.38 1.115907266e+02 1.115907266e+02 1.40 1.025189296e+02 1.025189296e+02 1.42 9.413973679e+01 9.413973679e+01 1.44 8.639717804e+01 8.639717804e+01 1.46 7.923966240e+01 7.923966240e+01 1.48 7.261988554e+01 7.261988554e+01 1.50 6.649480725e+01 6.649480725e+01 1.52 6.082539847e+01 6.082539847e+01 1.54 5.557618294e+01 5.557618294e+01 1.56 5.071470622e+01 5.071470622e+01 1.58 4.621109303e+01 4.621109303e+01 1.60 4.203781845e+01 4.203781845e+01 1.62 3.816978447e+01 3.816978447e+01 1.64 3.459400974e+01 3.459400974e+01 1.66 3.129592847e+01 3.129592847e+01 1.68 2.825569693e+01 2.825569693e+01 1.70 2.545440967e+01 2.545440967e+01 1.72 2.287470936e+01 2.287470936e+01 1.74 2.050046824e+01 2.050046824e+01 1.76 1.831648454e+01 1.831648454e+01 1.78 1.630832030e+01 1.630832030e+01 1.80 1.446234928e+01 1.446234928e+01 1.82 1.276590649e+01 1.276590649e+01 1.84 1.120737701e+01 1.120737701e+01 1.86 9.776156390e+00 9.776156390e+00 1.88 8.462514226e+00 8.462514226e+00 1.90 7.257428440e+00 7.257428440e+00 1.92 6.152454808e+00 6.152454808e+00 1.94 5.139675329e+00 5.139675329e+00 1.96 4.211724546e+00 4.211724546e+00 1.98 3.361844538e+00 3.361844538e+00 2.00 2.583911130e+00 2.583911130e+00 2.02 1.872408943e+00 1.872408943e+00 2.04 1.222366578e+00 1.222366578e+00 2.06 6.292722486e-01 6.292722486e-01 2.08 8.898814971e-02 8.898814971e-02 2.10 -4.023214898e-01 -4.023214898e-01 2.12 -8.482401383e-01 -8.482401383e-01 2.14 -1.252125925e+00 -1.252125925e+00 2.16 -1.617121058e+00 -1.617121058e+00 2.18 -1.946152182e+00 -1.946152182e+00 2.20 -2.241931700e+00 -2.241931700e+00 2.22 -2.506968462e+00 -2.506968462e+00 2.24 -2.743590323e+00 -2.743590323e+00 2.26 -2.953973983e+00 -2.953973983e+00 2.28 -3.140173542e+00 -3.140173542e+00 2.30 -3.304139338e+00 -3.304139338e+00 2.32 -3.447721768e+00 -3.447721768e+00 2.34 -3.572660041e+00 -3.572660041e+00 2.36 -3.680562292e+00 -3.680562292e+00 2.38 -3.772888078e+00 -3.772888078e+00 2.40 -3.850943510e+00 -3.850943510e+00 2.42 -3.915892940e+00 -3.915892940e+00 2.44 -3.968850074e+00 -3.968850074e+00 2.46 -4.010785091e+00 -4.010785091e+00 2.48 -4.042483614e+00 -4.042483614e+00 2.50 -4.064715826e+00 -4.064715826e+00 2.52 -4.078242193e+00 -4.078242193e+00 2.54 -4.083865369e+00 -4.083865369e+00 2.56 -4.082394268e+00 -4.082394268e+00 2.58 -4.074723027e+00 -4.074723027e+00 2.60 -4.061210147e+00 -4.061210147e+00 2.62 -4.042067396e+00 -4.042067396e+00 2.64 -4.017583879e+00 -4.017583879e+00 2.66 -3.988092479e+00 -3.988092479e+00 2.68 -3.953937772e+00 -3.953937772e+00 2.70 -3.915452261e+00 -3.915452261e+00 2.72 -3.872970691e+00 -3.872970691e+00 2.74 -3.826838964e+00 -3.826838964e+00 2.76 -3.777381635e+00 -3.777381635e+00 2.78 -3.724898209e+00 -3.724898209e+00 2.80 -3.669661802e+00 -3.669661802e+00 2.82 -3.611918891e+00 -3.611918891e+00 2.84 -3.551891494e+00 -3.551891494e+00 2.86 -3.489781895e+00 -3.489781895e+00 2.88 -3.425779197e+00 -3.425779197e+00 2.90 -3.360066747e+00 -3.360066747e+00 2.92 -3.292829692e+00 -3.292829692e+00 2.94 -3.224262203e+00 -3.224262203e+00 2.96 -3.154573924e+00 -3.154573924e+00 2.98 -3.083994905e+00 -3.083994905e+00 3.00 -3.012777774e+00 -3.012777774e+00 3.02 -2.941195641e+00 -2.941195641e+00 3.04 -2.869534580e+00 -2.869534580e+00 3.06 -2.798080839e+00 -2.798080839e+00 3.08 -2.727104746e+00 -2.727104746e+00 3.10 -2.656844794e+00 -2.656844794e+00 3.12 -2.587495621e+00 -2.587495621e+00 3.14 -2.519202360e+00 -2.519202360e+00 3.16 -2.452061736e+00 -2.452061736e+00 3.18 -2.386128460e+00 -2.386128460e+00 3.20 -2.321424545e+00 -2.321424545e+00 3.22 -2.257949243e+00 -2.257949243e+00 3.24 -2.195688000e+00 -2.195688000e+00 3.26 -2.134619620e+00 -2.134619620e+00 3.28 -2.074721440e+00 -2.074721440e+00 3.30 -2.015972718e+00 -2.015972718e+00 3.32 -1.958356557e+00 -1.958356557e+00 3.34 -1.901860731e+00 -1.901860731e+00 3.36 -1.846477712e+00 -1.846477712e+00 3.38 -1.792204150e+00 -1.792204150e+00 3.40 -1.739039991e+00 -1.739039991e+00 3.42 -1.686987375e+00 -1.686987375e+00 3.44 -1.636049448e+00 -1.636049448e+00 3.46 -1.586229163e+00 -1.586229163e+00 3.48 -1.537528172e+00 -1.537528172e+00 3.50 -1.489945856e+00 -1.489945856e+00 3.52 -1.443478552e+00 -1.443478552e+00 3.54 -1.398118996e+00 -1.398118996e+00 3.56 -1.353856025e+00 -1.353856025e+00 3.58 -1.310674528e+00 -1.310674528e+00 3.60 -1.268555678e+00 -1.268555678e+00 3.62 -1.227477426e+00 -1.227477426e+00 3.64 -1.187415263e+00 -1.187415263e+00 3.66 -1.148343234e+00 -1.148343234e+00 3.68 -1.110235142e+00 -1.110235142e+00 3.70 -1.073065890e+00 -1.073065890e+00 3.72 -1.036812853e+00 -1.036812853e+00 3.74 -1.001457127e+00 -1.001457127e+00 3.76 -9.669845130e-01 -9.669845130e-01 3.78 -9.333860593e-01 -9.333860593e-01 3.80 -9.006580257e-01 -9.006580257e-01 3.82 -8.688011884e-01 -8.688011884e-01 3.84 -8.378194985e-01 -8.378194985e-01 3.86 -8.077182167e-01 -8.077182167e-01 3.88 -7.785017451e-01 -7.785017451e-01 3.90 -7.501714466e-01 -7.501714466e-01 3.92 -7.227237494e-01 -7.227237494e-01 3.94 -6.961487802e-01 -6.961487802e-01 3.96 -6.704296639e-01 -6.704296639e-01 3.98 -6.455425179e-01 -6.455425179e-01 4.00 -6.214570540e-01 -6.214570540e-01 4.02 -5.981376414e-01 -5.981376414e-01 4.04 -5.755446619e-01 -5.755446619e-01 4.06 -5.536360058e-01 -5.536360058e-01 4.08 -5.323685967e-01 -5.323685967e-01 4.10 -5.116998779e-01 -5.116998779e-01 4.12 -4.915892352e-01 -4.915892352e-01 4.14 -4.719993292e-01 -4.719993292e-01 4.16 -4.528973458e-01 -4.528973458e-01 4.18 -4.342561194e-01 -4.342561194e-01 4.20 -4.160550814e-01 -4.160550814e-01 4.22 -3.982809487e-01 -3.982809487e-01 4.24 -3.809280555e-01 -3.809280555e-01 4.26 -3.639982348e-01 -3.639982348e-01 4.28 -3.475001944e-01 -3.475001944e-01 4.30 -3.314483903e-01 -3.314483903e-01 4.32 -3.158614806e-01 -3.158614806e-01 4.34 -3.007605072e-01 -3.007605072e-01 4.36 -2.861669968e-01 -2.861669968e-01 4.38 -2.721011697e-01 -2.721011697e-01 4.40 -2.585803993e-01 -2.585803993e-01 4.42 -2.456180044e-01 -2.456180044e-01 4.44 -2.332223853e-01 -2.332223853e-01 4.46 -2.213964748e-01 -2.213964748e-01 4.48 -2.101374539e-01 -2.101374539e-01 4.50 -1.994366941e-01 -1.994366941e-01 4.52 -1.892798990e-01 -1.892798990e-01 4.54 -1.796474366e-01 -1.796474366e-01 4.56 -1.705148542e-01 -1.705148542e-01 4.58 -1.618535592e-01 -1.618535592e-01 4.60 -1.536316382e-01 -1.536316382e-01 4.62 -1.458147708e-01 -1.458147708e-01 4.64 -1.383671911e-01 -1.383671911e-01 4.66 -1.312526506e-01 -1.312526506e-01 4.68 -1.244353454e-01 -1.244353454e-01 4.70 -1.178807841e-01 -1.178807841e-01 4.72 -1.115565856e-01 -1.115565856e-01 4.74 -1.054332054e-01 -1.054332054e-01 4.76 -9.948459417e-02 -9.948459417e-02 4.78 -9.368878952e-02 -9.368878952e-02 4.80 -8.802843480e-02 -8.802843480e-02 4.82 -8.249121022e-02 -8.249121022e-02 4.84 -7.707013613e-02 -7.707013613e-02 4.86 -7.176371736e-02 -7.176371736e-02 4.88 -6.657586957e-02 -6.657586957e-02 4.90 -6.151558502e-02 -6.151558502e-02 4.92 -5.659630546e-02 -5.659630546e-02 4.94 -5.183499866e-02 -5.183499866e-02 4.96 -4.725097234e-02 -4.725097234e-02 4.98 -4.286449820e-02 -4.286449820e-02 5.00 -3.869535620e-02 -3.869535620e-02 5.02 -3.476143168e-02 -3.476143168e-02 5.04 -3.107749230e-02 -3.107749230e-02 5.06 -2.765425434e-02 -2.765425434e-02 5.08 -2.449760722e-02 -2.449760722e-02 5.10 -2.160856658e-02 -2.160856658e-02 5.12 -1.898384075e-02 -1.898384075e-02 5.14 -1.661612526e-02 -1.661612526e-02 5.16 -1.449443990e-02 -1.449443990e-02 5.18 -1.260492325e-02 -1.260492325e-02 5.20 -1.093166915e-02 -1.093166915e-02 5.22 -9.457520922e-03 -9.457520922e-03 5.24 -8.164776217e-03 -8.164776217e-03 5.26 -7.035775674e-03 -7.035775674e-03 5.28 -6.053366149e-03 -6.053366149e-03 5.30 -5.201241954e-03 -5.201241954e-03 5.32 -4.464176064e-03 -4.464176064e-03 5.34 -3.828157771e-03 -3.828157771e-03 5.36 -3.280454817e-03 -3.280454817e-03 5.38 -2.809617537e-03 -2.809617537e-03 5.40 -2.405440761e-03 -2.405440761e-03 5.42 -2.058896900e-03 -2.058896900e-03 5.44 -1.762051047e-03 -1.762051047e-03 5.46 -1.507966540e-03 -1.507966540e-03 5.48 -1.290607265e-03 -1.290607265e-03 5.50 -1.104741190e-03 -1.104741190e-03 5.52 -9.458481425e-04 -9.458481425e-04 5.54 -8.100337235e-04 -8.100337235e-04 5.56 -6.939504059e-04 -6.939504059e-04 5.58 -5.947262354e-04 -5.947262354e-04 5.60 -5.099011345e-04 -5.099011345e-04 5.62 -4.373705178e-04 -4.373705178e-04 5.64 -3.753357540e-04 -3.753357540e-04 5.66 -3.222609097e-04 -3.222609097e-04 5.68 -2.768351701e-04 -2.768351701e-04 5.70 -2.379403302e-04 -2.379403302e-04 5.72 -2.046227679e-04 -2.046227679e-04 5.74 -1.760693522e-04 -1.760693522e-04 5.76 -1.515867826e-04 -1.515867826e-04 5.78 -1.305839045e-04 -1.305839045e-04 5.80 -1.125565979e-04 -1.125565979e-04 5.82 -9.707487971e-05 -9.707487971e-05 5.84 -8.377190701e-05 -8.377190701e-05 5.86 -7.233460879e-05 -7.233460879e-05 5.88 -6.249570936e-05 -6.249570936e-05 5.90 -5.402693984e-05 -5.402693984e-05 5.92 -4.673326220e-05 -4.673326220e-05 5.94 -4.044795576e-05 -4.044795576e-05 5.96 -3.502843746e-05 -3.502843746e-05 5.98 -3.035270631e-05 -3.035270631e-05 6.00 -2.631631839e-05 -2.631631839e-05