# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPdPt2 # 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 1.021563137e+03 1.021563137e+03 1.00 9.375278314e+02 9.375278314e+02 1.02 8.611026496e+02 8.611026496e+02 1.04 7.915253428e+02 7.915253428e+02 1.06 7.281180993e+02 7.281180993e+02 1.08 6.702744062e+02 6.702744062e+02 1.10 6.174582457e+02 6.174582457e+02 1.12 5.691877854e+02 5.691877854e+02 1.14 5.250305818e+02 5.250305818e+02 1.16 4.846022811e+02 4.846022811e+02 1.18 4.475560924e+02 4.475560924e+02 1.20 4.135793676e+02 4.135793676e+02 1.22 3.823899614e+02 3.823899614e+02 1.24 3.537366646e+02 3.537366646e+02 1.26 3.273910340e+02 3.273910340e+02 1.28 3.031467294e+02 3.031467294e+02 1.30 2.808157827e+02 2.808157827e+02 1.32 2.602315004e+02 2.602315004e+02 1.34 2.412419924e+02 2.412419924e+02 1.36 2.237092693e+02 2.237092693e+02 1.38 2.075083536e+02 2.075083536e+02 1.40 1.925252722e+02 1.925252722e+02 1.42 1.786570428e+02 1.786570428e+02 1.44 1.658113521e+02 1.658113521e+02 1.46 1.539034398e+02 1.539034398e+02 1.48 1.428562856e+02 1.428562856e+02 1.50 1.326000054e+02 1.326000054e+02 1.52 1.230709707e+02 1.230709707e+02 1.54 1.142106785e+02 1.142106785e+02 1.56 1.059660098e+02 1.059660098e+02 1.58 9.828914487e+01 9.828914487e+01 1.60 9.113704428e+01 9.113704428e+01 1.62 8.446961226e+01 8.446961226e+01 1.64 7.825023780e+01 7.825023780e+01 1.66 7.244545896e+01 7.244545896e+01 1.68 6.702465145e+01 6.702465145e+01 1.70 6.195975720e+01 6.195975720e+01 1.72 5.722498512e+01 5.722498512e+01 1.74 5.279681141e+01 5.279681141e+01 1.76 4.865354741e+01 4.865354741e+01 1.78 4.477471897e+01 4.477471897e+01 1.80 4.114228649e+01 4.114228649e+01 1.82 3.773961484e+01 3.773961484e+01 1.84 3.455110591e+01 3.455110591e+01 1.86 3.156363675e+01 3.156363675e+01 1.88 2.876701646e+01 2.876701646e+01 1.90 2.613916815e+01 2.613916815e+01 1.92 2.369681135e+01 2.369681135e+01 1.94 2.142046789e+01 2.142046789e+01 1.96 1.929720227e+01 1.929720227e+01 1.98 1.731753877e+01 1.731753877e+01 2.00 1.547287607e+01 1.547287607e+01 2.02 1.375507780e+01 1.375507780e+01 2.04 1.215652733e+01 1.215652733e+01 2.06 1.066985336e+01 1.066985336e+01 2.08 9.288202948e+00 9.288202948e+00 2.10 8.005734628e+00 8.005734628e+00 2.12 6.816093322e+00 6.816093322e+00 2.14 5.714044858e+00 5.714044858e+00 2.16 4.694570117e+00 4.694570117e+00 2.18 3.752773384e+00 3.752773384e+00 2.20 2.884053023e+00 2.884053023e+00 2.22 2.084009211e+00 2.084009211e+00 2.24 1.348538646e+00 1.348538646e+00 2.26 6.737533803e-01 6.737533803e-01 2.28 5.596112093e-02 5.596112093e-02 2.30 -5.080381045e-01 -5.080381045e-01 2.32 -1.021834714e+00 -1.021834714e+00 2.34 -1.488563663e+00 -1.488563663e+00 2.36 -1.911165219e+00 -1.911165219e+00 2.38 -2.292472756e+00 -2.292472756e+00 2.40 -2.635228443e+00 -2.635228443e+00 2.42 -2.942000286e+00 -2.942000286e+00 2.44 -3.214812710e+00 -3.214812710e+00 2.46 -3.456314826e+00 -3.456314826e+00 2.48 -3.668688331e+00 -3.668688331e+00 2.50 -3.853991375e+00 -3.853991375e+00 2.52 -4.014172588e+00 -4.014172588e+00 2.54 -4.151075594e+00 -4.151075594e+00 2.56 -4.266443992e+00 -4.266443992e+00 2.58 -4.361434504e+00 -4.361434504e+00 2.60 -4.438072446e+00 -4.438072446e+00 2.62 -4.497846464e+00 -4.497846464e+00 2.64 -4.542137630e+00 -4.542137630e+00 2.66 -4.572482091e+00 -4.572482091e+00 2.68 -4.590051543e+00 -4.590051543e+00 2.70 -4.595534971e+00 -4.595534971e+00 2.72 -4.590249881e+00 -4.590249881e+00 2.74 -4.575205926e+00 -4.575205926e+00 2.76 -4.551326366e+00 -4.551326366e+00 2.78 -4.520489534e+00 -4.520489534e+00 2.80 -4.483087482e+00 -4.483087482e+00 2.82 -4.439222165e+00 -4.439222165e+00 2.84 -4.389593427e+00 -4.389593427e+00 2.86 -4.334852405e+00 -4.334852405e+00 2.88 -4.275602272e+00 -4.275602272e+00 2.90 -4.212417146e+00 -4.212417146e+00 2.92 -4.145968990e+00 -4.145968990e+00 2.94 -4.076462406e+00 -4.076462406e+00 2.96 -4.003211335e+00 -4.003211335e+00 2.98 -3.927631340e+00 -3.927631340e+00 3.00 -3.850373310e+00 -3.850373310e+00 3.02 -3.771772952e+00 -3.771772952e+00 3.04 -3.692146148e+00 -3.692146148e+00 3.06 -3.611563994e+00 -3.611563994e+00 3.08 -3.529944004e+00 -3.529944004e+00 3.10 -3.448061669e+00 -3.448061669e+00 3.12 -3.366161466e+00 -3.366161466e+00 3.14 -3.284390400e+00 -3.284390400e+00 3.16 -3.202892912e+00 -3.202892912e+00 3.18 -3.121877676e+00 -3.121877676e+00 3.20 -3.041481159e+00 -3.041481159e+00 3.22 -2.961822231e+00 -2.961822231e+00 3.24 -2.882988487e+00 -2.882988487e+00 3.26 -2.806032675e+00 -2.806032675e+00 3.28 -2.730360880e+00 -2.730360880e+00 3.30 -2.655713638e+00 -2.655713638e+00 3.32 -2.582156279e+00 -2.582156279e+00 3.34 -2.509746942e+00 -2.509746942e+00 3.36 -2.438535531e+00 -2.438535531e+00 3.38 -2.368564323e+00 -2.368564323e+00 3.40 -2.299873422e+00 -2.299873422e+00 3.42 -2.232544283e+00 -2.232544283e+00 3.44 -2.166540416e+00 -2.166540416e+00 3.46 -2.101880061e+00 -2.101880061e+00 3.48 -2.038575963e+00 -2.038575963e+00 3.50 -1.976644543e+00 -1.976644543e+00 3.52 -1.916082477e+00 -1.916082477e+00 3.54 -1.856894142e+00 -1.856894142e+00 3.56 -1.799092973e+00 -1.799092973e+00 3.58 -1.742596835e+00 -1.742596835e+00 3.60 -1.687284754e+00 -1.687284754e+00 3.62 -1.633130636e+00 -1.633130636e+00 3.64 -1.580248329e+00 -1.580248329e+00 3.66 -1.528737408e+00 -1.528737408e+00 3.68 -1.478565757e+00 -1.478565757e+00 3.70 -1.429657624e+00 -1.429657624e+00 3.72 -1.381972471e+00 -1.381972471e+00 3.74 -1.335518780e+00 -1.335518780e+00 3.76 -1.290315240e+00 -1.290315240e+00 3.78 -1.246375332e+00 -1.246375332e+00 3.80 -1.203679634e+00 -1.203679634e+00 3.82 -1.162191788e+00 -1.162191788e+00 3.84 -1.121867099e+00 -1.121867099e+00 3.86 -1.082687772e+00 -1.082687772e+00 3.88 -1.044636594e+00 -1.044636594e+00 3.90 -1.007686196e+00 -1.007686196e+00 3.92 -9.718194939e-01 -9.718194939e-01 3.94 -9.369273158e-01 -9.369273158e-01 3.96 -9.030175881e-01 -9.030175881e-01 3.98 -8.701198329e-01 -8.701198329e-01 4.00 -8.381478790e-01 -8.381478790e-01 4.02 -8.071216738e-01 -8.071216738e-01 4.04 -7.771262713e-01 -7.771262713e-01 4.06 -7.482209983e-01 -7.482209983e-01 4.08 -7.205221184e-01 -7.205221184e-01 4.10 -6.940097638e-01 -6.940097638e-01 4.12 -6.685470707e-01 -6.685470707e-01 4.14 -6.440981963e-01 -6.440981963e-01 4.16 -6.205607748e-01 -6.205607748e-01 4.18 -5.976715223e-01 -5.976715223e-01 4.20 -5.752323750e-01 -5.752323750e-01 4.22 -5.531029687e-01 -5.531029687e-01 4.24 -5.311888992e-01 -5.311888992e-01 4.26 -5.094319563e-01 -5.094319563e-01 4.28 -4.878020365e-01 -4.878020365e-01 4.30 -4.662898627e-01 -4.662898627e-01 4.32 -4.448541780e-01 -4.448541780e-01 4.34 -4.235355052e-01 -4.235355052e-01 4.36 -4.024170309e-01 -4.024170309e-01 4.38 -3.815221943e-01 -3.815221943e-01 4.40 -3.609548570e-01 -3.609548570e-01 4.42 -3.408414948e-01 -3.408414948e-01 4.44 -3.212783623e-01 -3.212783623e-01 4.46 -3.023366994e-01 -3.023366994e-01 4.48 -2.840671339e-01 -2.840671339e-01 4.50 -2.665033976e-01 -2.665033976e-01 4.52 -2.496654560e-01 -2.496654560e-01 4.54 -2.335621386e-01 -2.335621386e-01 4.56 -2.181930269e-01 -2.181930269e-01 4.58 -2.035242386e-01 -2.035242386e-01 4.60 -1.903046455e-01 -1.903046455e-01 4.62 -1.784430759e-01 -1.784430759e-01 4.64 -1.671507245e-01 -1.671507245e-01 4.66 -1.564336462e-01 -1.564336462e-01 4.68 -1.462705574e-01 -1.462705574e-01 4.70 -1.366394178e-01 -1.366394178e-01 4.72 -1.275178729e-01 -1.275178729e-01 4.74 -1.188835239e-01 -1.188835239e-01 4.76 -1.107141422e-01 -1.107141422e-01 4.78 -1.029878390e-01 -1.029878390e-01 4.80 -9.568150409e-02 -9.568150409e-02 4.82 -8.882615372e-02 -8.882615372e-02 4.84 -8.236756144e-02 -8.236756144e-02 4.86 -7.626519065e-02 -7.626519065e-02 4.88 -7.050063038e-02 -7.050063038e-02 4.90 -6.505620766e-02 -6.505620766e-02 4.92 -5.991499761e-02 -5.991499761e-02 4.94 -5.506082459e-02 -5.506082459e-02 4.96 -5.047825549e-02 -5.047825549e-02 4.98 -4.615258752e-02 -4.615258752e-02 5.00 -4.206983160e-02 -4.206983160e-02 5.02 -3.821669326e-02 -3.821669326e-02 5.04 -3.458055078e-02 -3.458055078e-02 5.06 -3.114943025e-02 -3.114943025e-02 5.08 -2.791198088e-02 -2.791198088e-02 5.10 -2.485744939e-02 -2.485744939e-02 5.12 -2.197565437e-02 -2.197565437e-02 5.14 -1.925696027e-02 -1.925696027e-02 5.16 -1.669225169e-02 -1.669225169e-02 5.18 -1.427290831e-02 -1.427290831e-02 5.20 -1.199078051e-02 -1.199078051e-02 5.22 -9.838165843e-03 -9.838165843e-03 5.24 -7.807785657e-03 -7.807785657e-03 5.26 -5.892724291e-03 -5.892724291e-03 5.28 -4.089022031e-03 -4.089022031e-03 5.30 -2.445599420e-03 -2.445599420e-03 5.32 -2.123896841e-03 -2.123896841e-03 5.34 -1.861658612e-03 -1.861658612e-03 5.36 -1.625020368e-03 -1.625020368e-03 5.38 -1.403163542e-03 -1.403163542e-03 5.40 -1.195186957e-03 -1.195186957e-03 5.42 -1.000242956e-03 -1.000242956e-03 5.44 -8.175342993e-04 -8.175342993e-04 5.46 -6.463112424e-04 -6.463112424e-04 5.48 -4.858687964e-04 -4.858687964e-04 5.50 -3.355441406e-04 -3.355441406e-04 5.52 -1.947141466e-04 -1.947141466e-04 5.54 -6.194909546e-05 -6.194909546e-05 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00