# 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 = Fe2PbW # 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 3.463745286e+02 3.463745286e+02 1.30 3.195486720e+02 3.195486720e+02 1.32 2.947914961e+02 2.947914961e+02 1.34 2.719438063e+02 2.719438063e+02 1.36 2.508604237e+02 2.508604237e+02 1.38 2.314048379e+02 2.314048379e+02 1.40 2.134470456e+02 2.134470456e+02 1.42 1.968645455e+02 1.968645455e+02 1.44 1.815444318e+02 1.815444318e+02 1.46 1.673845668e+02 1.673845668e+02 1.48 1.542932441e+02 1.542932441e+02 1.50 1.421878400e+02 1.421878400e+02 1.52 1.309931756e+02 1.309931756e+02 1.54 1.206400302e+02 1.206400302e+02 1.56 1.110640337e+02 1.110640337e+02 1.58 1.022050543e+02 1.022050543e+02 1.60 9.400702377e+01 9.400702377e+01 1.62 8.641806989e+01 8.641806989e+01 1.64 7.939074971e+01 7.939074971e+01 1.66 7.288222820e+01 7.288222820e+01 1.68 6.685420640e+01 6.685420640e+01 1.70 6.127250832e+01 6.127250832e+01 1.72 5.610645929e+01 5.610645929e+01 1.74 5.132827418e+01 5.132827418e+01 1.76 4.691090779e+01 4.691090779e+01 1.78 4.283153787e+01 4.283153787e+01 1.80 3.906982847e+01 3.906982847e+01 1.82 3.559984620e+01 3.559984620e+01 1.84 3.239725071e+01 3.239725071e+01 1.86 2.943990605e+01 2.943990605e+01 1.88 2.670810424e+01 2.670810424e+01 1.90 2.418444911e+01 2.418444911e+01 1.92 2.185350418e+01 2.185350418e+01 1.94 1.970135132e+01 1.970135132e+01 1.96 1.771517452e+01 1.771517452e+01 1.98 1.588295494e+01 1.588295494e+01 2.00 1.419328957e+01 1.419328957e+01 2.02 1.263532283e+01 1.263532283e+01 2.04 1.119875475e+01 1.119875475e+01 2.06 9.873886986e+00 9.873886986e+00 2.08 8.651669220e+00 8.651669220e+00 2.10 7.523728536e+00 7.523728536e+00 2.12 6.482375442e+00 6.482375442e+00 2.14 5.520593024e+00 5.520593024e+00 2.16 4.632020511e+00 4.632020511e+00 2.18 3.810930812e+00 3.810930812e+00 2.20 3.052194672e+00 3.052194672e+00 2.22 2.351231771e+00 2.351231771e+00 2.24 1.703946268e+00 1.703946268e+00 2.26 1.106673392e+00 1.106673392e+00 2.28 5.561708294e-01 5.561708294e-01 2.30 4.924164875e-02 4.924164875e-02 2.32 -4.171005859e-01 -4.171005859e-01 2.34 -8.456237239e-01 -8.456237239e-01 2.36 -1.238918202e+00 -1.238918202e+00 2.38 -1.599417410e+00 -1.599417410e+00 2.40 -1.929367764e+00 -1.929367764e+00 2.42 -2.230586493e+00 -2.230586493e+00 2.44 -2.504713494e+00 -2.504713494e+00 2.46 -2.753361866e+00 -2.753361866e+00 2.48 -2.978095860e+00 -2.978095860e+00 2.50 -3.180417836e+00 -3.180417836e+00 2.52 -3.361762337e+00 -3.361762337e+00 2.54 -3.523494233e+00 -3.523494233e+00 2.56 -3.666908386e+00 -3.666908386e+00 2.58 -3.793229346e+00 -3.793229346e+00 2.60 -3.903610647e+00 -3.903610647e+00 2.62 -3.999133571e+00 -3.999133571e+00 2.64 -4.080809057e+00 -4.080809057e+00 2.66 -4.149574930e+00 -4.149574930e+00 2.68 -4.206300070e+00 -4.206300070e+00 2.70 -4.251786196e+00 -4.251786196e+00 2.72 -4.286770869e+00 -4.286770869e+00 2.74 -4.311930771e+00 -4.311930771e+00 2.76 -4.327885090e+00 -4.327885090e+00 2.78 -4.335199146e+00 -4.335199146e+00 2.80 -4.334395723e+00 -4.334395723e+00 2.82 -4.325936572e+00 -4.325936572e+00 2.84 -4.310238722e+00 -4.310238722e+00 2.86 -4.287685276e+00 -4.287685276e+00 2.88 -4.258630307e+00 -4.258630307e+00 2.90 -4.223404962e+00 -4.223404962e+00 2.92 -4.182324785e+00 -4.182324785e+00 2.94 -4.135687305e+00 -4.135687305e+00 2.96 -4.083609048e+00 -4.083609048e+00 2.98 -4.026110351e+00 -4.026110351e+00 3.00 -3.963352113e+00 -3.963352113e+00 3.02 -3.895481759e+00 -3.895481759e+00 3.04 -3.822513470e+00 -3.822513470e+00 3.06 -3.744588523e+00 -3.744588523e+00 3.08 -3.661930458e+00 -3.661930458e+00 3.10 -3.574756025e+00 -3.574756025e+00 3.12 -3.483340349e+00 -3.483340349e+00 3.14 -3.388032217e+00 -3.388032217e+00 3.16 -3.289228364e+00 -3.289228364e+00 3.18 -3.187360654e+00 -3.187360654e+00 3.20 -3.082886194e+00 -3.082886194e+00 3.22 -2.976282340e+00 -2.976282340e+00 3.24 -2.868043679e+00 -2.868043679e+00 3.26 -2.758678984e+00 -2.758678984e+00 3.28 -2.648706800e+00 -2.648706800e+00 3.30 -2.538649164e+00 -2.538649164e+00 3.32 -2.429023762e+00 -2.429023762e+00 3.34 -2.320335414e+00 -2.320335414e+00 3.36 -2.213067979e+00 -2.213067979e+00 3.38 -2.107677684e+00 -2.107677684e+00 3.40 -2.004588045e+00 -2.004588045e+00 3.42 -1.904188210e+00 -1.904188210e+00 3.44 -1.806829178e+00 -1.806829178e+00 3.46 -1.712823828e+00 -1.712823828e+00 3.48 -1.622444702e+00 -1.622444702e+00 3.50 -1.535921313e+00 -1.535921313e+00 3.52 -1.453436749e+00 -1.453436749e+00 3.54 -1.375124126e+00 -1.375124126e+00 3.56 -1.301063757e+00 -1.301063757e+00 3.58 -1.231281897e+00 -1.231281897e+00 3.60 -1.165751674e+00 -1.165751674e+00 3.62 -1.104396458e+00 -1.104396458e+00 3.64 -1.047095467e+00 -1.047095467e+00 3.66 -9.936910804e-01 -9.936910804e-01 3.68 -9.439971033e-01 -9.439971033e-01 3.70 -8.978071923e-01 -8.978071923e-01 3.72 -8.549027323e-01 -8.549027323e-01 3.74 -8.150596682e-01 -8.150596682e-01 3.76 -7.780540275e-01 -7.780540275e-01 3.78 -7.436661220e-01 -7.436661220e-01 3.80 -7.116835864e-01 -7.116835864e-01 3.82 -6.819034776e-01 -6.819034776e-01 3.84 -6.541336983e-01 -6.541336983e-01 3.86 -6.281939661e-01 -6.281939661e-01 3.88 -6.039159904e-01 -6.039159904e-01 3.90 -5.811443909e-01 -5.811443909e-01 3.92 -5.597374193e-01 -5.597374193e-01 3.94 -5.395674485e-01 -5.395674485e-01 3.96 -5.205173093e-01 -5.205173093e-01 3.98 -5.024823556e-01 -5.024823556e-01 4.00 -4.853691806e-01 -4.853691806e-01 4.02 -4.690948274e-01 -4.690948274e-01 4.04 -4.535859024e-01 -4.535859024e-01 4.06 -4.387776476e-01 -4.387776476e-01 4.08 -4.246130165e-01 -4.246130165e-01 4.10 -4.110404715e-01 -4.110404715e-01 4.12 -3.980186494e-01 -3.980186494e-01 4.14 -3.855069522e-01 -3.855069522e-01 4.16 -3.734709359e-01 -3.734709359e-01 4.18 -3.618800936e-01 -3.618800936e-01 4.20 -3.507073203e-01 -3.507073203e-01 4.22 -3.399284466e-01 -3.399284466e-01 4.24 -3.295218337e-01 -3.295218337e-01 4.26 -3.194680251e-01 -3.194680251e-01 4.28 -3.097494461e-01 -3.097494461e-01 4.30 -3.003501469e-01 -3.003501469e-01 4.32 -2.912555828e-01 -2.912555828e-01 4.34 -2.824524262e-01 -2.824524262e-01 4.36 -2.739284063e-01 -2.739284063e-01 4.38 -2.656721720e-01 -2.656721720e-01 4.40 -2.576731748e-01 -2.576731748e-01 4.42 -2.499215688e-01 -2.499215688e-01 4.44 -2.424081255e-01 -2.424081255e-01 4.46 -2.351241596e-01 -2.351241596e-01 4.48 -2.280614664e-01 -2.280614664e-01 4.50 -2.212122675e-01 -2.212122675e-01 4.52 -2.145691632e-01 -2.145691632e-01 4.54 -2.081250926e-01 -2.081250926e-01 4.56 -2.018732975e-01 -2.018732975e-01 4.58 -1.958072914e-01 -1.958072914e-01 4.60 -1.899208327e-01 -1.899208327e-01 4.62 -1.842079006e-01 -1.842079006e-01 4.64 -1.786626735e-01 -1.786626735e-01 4.66 -1.732795109e-01 -1.732795109e-01 4.68 -1.680529361e-01 -1.680529361e-01 4.70 -1.629776218e-01 -1.629776218e-01 4.72 -1.580483768e-01 -1.580483768e-01 4.74 -1.532601350e-01 -1.532601350e-01 4.76 -1.486079451e-01 -1.486079451e-01 4.78 -1.440869630e-01 -1.440869630e-01 4.80 -1.396916498e-01 -1.396916498e-01 4.82 -1.354190771e-01 -1.354190771e-01 4.84 -1.312637482e-01 -1.312637482e-01 4.86 -1.272212088e-01 -1.272212088e-01 4.88 -1.232871019e-01 -1.232871019e-01 4.90 -1.194571743e-01 -1.194571743e-01 4.92 -1.157272874e-01 -1.157272874e-01 4.94 -1.120934313e-01 -1.120934313e-01 4.96 -1.085517434e-01 -1.085517434e-01 4.98 -1.050985323e-01 -1.050985323e-01 5.00 -1.017303055e-01 -1.017303055e-01 5.02 -9.844380229e-02 -9.844380229e-02 5.04 -9.523602989e-02 -9.523602989e-02 5.06 -9.210430206e-02 -9.210430206e-02 5.08 -8.904627854e-02 -8.904627854e-02 5.10 -8.606000255e-02 -8.606000255e-02 5.12 -8.314393338e-02 -8.314393338e-02 5.14 -8.029697017e-02 -8.029697017e-02 5.16 -7.751846295e-02 -7.751846295e-02 5.18 -7.480820695e-02 -7.480820695e-02 5.20 -7.216641676e-02 -7.216641676e-02 5.22 -6.959367808e-02 -6.959367808e-02 5.24 -6.709087648e-02 -6.709087648e-02 5.26 -6.465909034e-02 -6.465909034e-02 5.28 -6.229942593e-02 -6.229942593e-02 5.30 -6.001307072e-02 -6.001307072e-02 5.32 -5.780107899e-02 -5.780107899e-02 5.34 -5.566423122e-02 -5.566423122e-02 5.36 -5.360292989e-02 -5.360292989e-02 5.38 -5.161711746e-02 -5.161711746e-02 5.40 -4.970622216e-02 -4.970622216e-02 5.42 -4.786913385e-02 -4.786913385e-02 5.44 -4.610420953e-02 -4.610420953e-02 5.46 -4.440930543e-02 -4.440930543e-02 5.48 -4.278183059e-02 -4.278183059e-02 5.50 -4.121881571e-02 -4.121881571e-02 5.52 -3.971699089e-02 -3.971699089e-02 5.54 -3.827286616e-02 -3.827286616e-02 5.56 -3.688280991e-02 -3.688280991e-02 5.58 -3.554312141e-02 -3.554312141e-02 5.60 -3.425009518e-02 -3.425009518e-02 5.62 -3.300007599e-02 -3.300007599e-02 5.64 -3.178950399e-02 -3.178950399e-02 5.66 -3.061495167e-02 -3.061495167e-02 5.68 -2.947315314e-02 -2.947315314e-02 5.70 -2.836102740e-02 -2.836102740e-02 5.72 -2.727569707e-02 -2.727569707e-02 5.74 -2.621450435e-02 -2.621450435e-02 5.76 -2.517502521e-02 -2.517502521e-02 5.78 -2.415508320e-02 -2.415508320e-02 5.80 -2.315276332e-02 -2.315276332e-02 5.82 -2.216642649e-02 -2.216642649e-02 5.84 -2.119472449e-02 -2.119472449e-02 5.86 -2.023661500e-02 -2.023661500e-02 5.88 -1.929137592e-02 -1.929137592e-02 5.90 -1.835861771e-02 -1.835861771e-02 5.92 -1.743829237e-02 -1.743829237e-02 5.94 -1.653067207e-02 -1.653067207e-02 5.96 -1.563625584e-02 -1.563625584e-02 5.98 -1.475602546e-02 -1.475602546e-02 6.00 -1.389129808e-02 -1.389129808e-02