# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi2Pt # 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 5.359909567e+02 5.359909567e+02 0.98 4.887560124e+02 4.887560124e+02 1.00 4.458176263e+02 4.458176263e+02 1.02 4.067509366e+02 4.067509366e+02 1.04 3.711907388e+02 3.711907388e+02 1.06 3.388091294e+02 3.388091294e+02 1.08 3.093072996e+02 3.093072996e+02 1.10 2.824210670e+02 2.824210670e+02 1.12 2.579084949e+02 2.579084949e+02 1.14 2.355499801e+02 2.355499801e+02 1.16 2.151589195e+02 2.151589195e+02 1.18 1.965583990e+02 1.965583990e+02 1.20 1.795913278e+02 1.795913278e+02 1.22 1.641057056e+02 1.641057056e+02 1.24 1.499763902e+02 1.499763902e+02 1.26 1.370806772e+02 1.370806772e+02 1.28 1.253073824e+02 1.253073824e+02 1.30 1.145571275e+02 1.145571275e+02 1.32 1.047380688e+02 1.047380688e+02 1.34 9.576674254e+01 9.576674254e+01 1.36 8.756966118e+01 8.756966118e+01 1.38 8.007671912e+01 8.007671912e+01 1.40 7.322327132e+01 7.322327132e+01 1.42 6.695252909e+01 6.695252909e+01 1.44 6.121503428e+01 6.121503428e+01 1.46 5.596145420e+01 5.596145420e+01 1.48 5.114837390e+01 5.114837390e+01 1.50 4.673836185e+01 4.673836185e+01 1.52 4.269614342e+01 4.269614342e+01 1.54 3.898854221e+01 3.898854221e+01 1.56 3.558615554e+01 3.558615554e+01 1.58 3.246251021e+01 3.246251021e+01 1.60 2.959412715e+01 2.959412715e+01 1.62 2.695814574e+01 2.695814574e+01 1.64 2.453529648e+01 2.453529648e+01 1.66 2.230629415e+01 2.230629415e+01 1.68 2.025484032e+01 2.025484032e+01 1.70 1.836670066e+01 1.836670066e+01 1.72 1.662676074e+01 1.662676074e+01 1.74 1.502466806e+01 1.502466806e+01 1.76 1.354847517e+01 1.354847517e+01 1.78 1.218914979e+01 1.218914979e+01 1.80 1.093747559e+01 1.093747559e+01 1.82 9.773683911e+00 9.773683911e+00 1.84 8.666468571e+00 8.666468571e+00 1.86 7.649467041e+00 7.649467041e+00 1.88 6.683367205e+00 6.683367205e+00 1.90 5.768900020e+00 5.768900020e+00 1.92 4.904485939e+00 4.904485939e+00 1.94 4.089039610e+00 4.089039610e+00 1.96 3.321274340e+00 3.321274340e+00 1.98 2.599171160e+00 2.599171160e+00 2.00 1.921828281e+00 1.921828281e+00 2.02 1.288218729e+00 1.288218729e+00 2.04 6.968725091e-01 6.968725091e-01 2.06 1.461729154e-01 1.461729154e-01 2.08 -3.654727243e-01 -3.654727243e-01 2.10 -8.390301418e-01 -8.390301418e-01 2.12 -1.275971805e+00 -1.275971805e+00 2.14 -1.678457331e+00 -1.678457331e+00 2.16 -2.048041483e+00 -2.048041483e+00 2.18 -2.386097577e+00 -2.386097577e+00 2.20 -2.694101055e+00 -2.694101055e+00 2.22 -2.973534058e+00 -2.973534058e+00 2.24 -3.225854673e+00 -3.225854673e+00 2.26 -3.451627284e+00 -3.451627284e+00 2.28 -3.653067053e+00 -3.653067053e+00 2.30 -3.831649804e+00 -3.831649804e+00 2.32 -3.988732336e+00 -3.988732336e+00 2.34 -4.125410373e+00 -4.125410373e+00 2.36 -4.242713701e+00 -4.242713701e+00 2.38 -4.342248284e+00 -4.342248284e+00 2.40 -4.425178554e+00 -4.425178554e+00 2.42 -4.492935954e+00 -4.492935954e+00 2.44 -4.546245690e+00 -4.546245690e+00 2.46 -4.586135518e+00 -4.586135518e+00 2.48 -4.613424443e+00 -4.613424443e+00 2.50 -4.629406563e+00 -4.629406563e+00 2.52 -4.635448624e+00 -4.635448624e+00 2.54 -4.632108037e+00 -4.632108037e+00 2.56 -4.619903595e+00 -4.619903595e+00 2.58 -4.599592830e+00 -4.599592830e+00 2.60 -4.572488646e+00 -4.572488646e+00 2.62 -4.538835309e+00 -4.538835309e+00 2.64 -4.499110316e+00 -4.499110316e+00 2.66 -4.453977040e+00 -4.453977040e+00 2.68 -4.404006446e+00 -4.404006446e+00 2.70 -4.349688247e+00 -4.349688247e+00 2.72 -4.291524170e+00 -4.291524170e+00 2.74 -4.229534907e+00 -4.229534907e+00 2.76 -4.164108257e+00 -4.164108257e+00 2.78 -4.096396570e+00 -4.096396570e+00 2.80 -4.026496902e+00 -4.026496902e+00 2.82 -3.954094775e+00 -3.954094775e+00 2.84 -3.880270241e+00 -3.880270241e+00 2.86 -3.805264509e+00 -3.805264509e+00 2.88 -3.728596630e+00 -3.728596630e+00 2.90 -3.651257602e+00 -3.651257602e+00 2.92 -3.573519978e+00 -3.573519978e+00 2.94 -3.495607331e+00 -3.495607331e+00 2.96 -3.418234999e+00 -3.418234999e+00 2.98 -3.340970520e+00 -3.340970520e+00 3.00 -3.263947951e+00 -3.263947951e+00 3.02 -3.187300064e+00 -3.187300064e+00 3.04 -3.111332200e+00 -3.111332200e+00 3.06 -3.036208678e+00 -3.036208678e+00 3.08 -2.961752382e+00 -2.961752382e+00 3.10 -2.888050367e+00 -2.888050367e+00 3.12 -2.815176560e+00 -2.815176560e+00 3.14 -2.743195982e+00 -2.743195982e+00 3.16 -2.672165516e+00 -2.672165516e+00 3.18 -2.602134617e+00 -2.602134617e+00 3.20 -2.533145935e+00 -2.533145935e+00 3.22 -2.465235859e+00 -2.465235859e+00 3.24 -2.398432212e+00 -2.398432212e+00 3.26 -2.333105415e+00 -2.333105415e+00 3.28 -2.269036525e+00 -2.269036525e+00 3.30 -2.206124925e+00 -2.206124925e+00 3.32 -2.144362348e+00 -2.144362348e+00 3.34 -2.083725175e+00 -2.083725175e+00 3.36 -2.024155929e+00 -2.024155929e+00 3.38 -1.965632681e+00 -1.965632681e+00 3.40 -1.908312850e+00 -1.908312850e+00 3.42 -1.852234654e+00 -1.852234654e+00 3.44 -1.797146336e+00 -1.797146336e+00 3.46 -1.742921929e+00 -1.742921929e+00 3.48 -1.689719270e+00 -1.689719270e+00 3.50 -1.637682248e+00 -1.637682248e+00 3.52 -1.586834654e+00 -1.586834654e+00 3.54 -1.537174091e+00 -1.537174091e+00 3.56 -1.488677635e+00 -1.488677635e+00 3.58 -1.441325156e+00 -1.441325156e+00 3.60 -1.395100133e+00 -1.395100133e+00 3.62 -1.349982525e+00 -1.349982525e+00 3.64 -1.305958497e+00 -1.305958497e+00 3.66 -1.263017572e+00 -1.263017572e+00 3.68 -1.221132979e+00 -1.221132979e+00 3.70 -1.180282138e+00 -1.180282138e+00 3.72 -1.140455233e+00 -1.140455233e+00 3.74 -1.101634982e+00 -1.101634982e+00 3.76 -1.063808422e+00 -1.063808422e+00 3.78 -1.026911369e+00 -1.026911369e+00 3.80 -9.909093794e-01 -9.909093794e-01 3.82 -9.558149946e-01 -9.558149946e-01 3.84 -9.216521595e-01 -9.216521595e-01 3.86 -8.884570518e-01 -8.884570518e-01 3.88 -8.562552856e-01 -8.562552856e-01 3.90 -8.250948341e-01 -8.250948341e-01 3.92 -7.949588989e-01 -7.949588989e-01 3.94 -7.656166589e-01 -7.656166589e-01 3.96 -7.369851164e-01 -7.369851164e-01 3.98 -7.090225371e-01 -7.090225371e-01 4.00 -6.817057400e-01 -6.817057400e-01 4.02 -6.550249287e-01 -6.550249287e-01 4.04 -6.289796049e-01 -6.289796049e-01 4.06 -6.035917394e-01 -6.035917394e-01 4.08 -5.790087924e-01 -5.790087924e-01 4.10 -5.550414030e-01 -5.550414030e-01 4.12 -5.314625777e-01 -5.314625777e-01 4.14 -5.081574523e-01 -5.081574523e-01 4.16 -4.852084468e-01 -4.852084468e-01 4.18 -4.632631433e-01 -4.632631433e-01 4.20 -4.415945528e-01 -4.415945528e-01 4.22 -4.202262839e-01 -4.202262839e-01 4.24 -3.991795150e-01 -3.991795150e-01 4.26 -3.784760713e-01 -3.784760713e-01 4.28 -3.580955824e-01 -3.580955824e-01 4.30 -3.388690075e-01 -3.388690075e-01 4.32 -3.202603814e-01 -3.202603814e-01 4.34 -3.019968588e-01 -3.019968588e-01 4.36 -2.841807938e-01 -2.841807938e-01 4.38 -2.668834521e-01 -2.668834521e-01 4.40 -2.501571426e-01 -2.501571426e-01 4.42 -2.340384987e-01 -2.340384987e-01 4.44 -2.185512468e-01 -2.185512468e-01 4.46 -2.037085544e-01 -2.037085544e-01 4.48 -1.895150085e-01 -1.895150085e-01 4.50 -1.759682887e-01 -1.759682887e-01 4.52 -1.630605715e-01 -1.630605715e-01 4.54 -1.507797086e-01 -1.507797086e-01 4.56 -1.391102127e-01 -1.391102127e-01 4.58 -1.280347305e-01 -1.280347305e-01 4.60 -1.176690698e-01 -1.176690698e-01 4.62 -1.079769629e-01 -1.079769629e-01 4.64 -9.879607788e-02 -9.879607788e-02 4.66 -9.010535318e-02 -9.010535318e-02 4.68 -8.188351421e-02 -8.188351421e-02 4.70 -7.410931554e-02 -7.410931554e-02 4.72 -6.676173431e-02 -6.676173431e-02 4.74 -5.982012234e-02 -5.982012234e-02 4.76 -5.326432368e-02 -5.326432368e-02 4.78 -4.708285982e-02 -4.708285982e-02 4.80 -4.129929211e-02 -4.129929211e-02 4.82 -3.713244571e-02 -3.713244571e-02 4.84 -3.325404513e-02 -3.325404513e-02 4.86 -2.959718560e-02 -2.959718560e-02 4.88 -2.614640141e-02 -2.614640141e-02 4.90 -2.289065482e-02 -2.289065482e-02 4.92 -1.981896800e-02 -1.981896800e-02 4.94 -1.688248230e-02 -1.688248230e-02 4.96 -1.480125206e-02 -1.480125206e-02 4.98 -1.348173552e-02 -1.348173552e-02 5.00 -1.221034192e-02 -1.221034192e-02 5.02 -1.101213897e-02 -1.101213897e-02 5.04 -9.883215266e-03 -9.883215266e-03 5.06 -8.819682469e-03 -8.819682469e-03 5.08 -7.817862839e-03 -7.817862839e-03 5.10 -6.874278573e-03 -6.874278573e-03 5.12 -5.985641567e-03 -5.985641567e-03 5.14 -5.148843606e-03 -5.148843606e-03 5.16 -4.360946984e-03 -4.360946984e-03 5.18 -3.619175559e-03 -3.619175559e-03 5.20 -2.920906207e-03 -2.920906207e-03 5.22 -2.263660680e-03 -2.263660680e-03 5.24 -1.645097869e-03 -1.645097869e-03 5.26 -1.063006459e-03 -1.063006459e-03 5.28 -5.156303753e-04 -5.156303753e-04 5.30 -8.021298776e-16 -8.012114832e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 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