# 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 = Pd2PtZr # 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 4.145103469e+02 4.145103469e+02 1.30 3.868196792e+02 3.868196792e+02 1.32 3.610153600e+02 3.610153600e+02 1.34 3.369559111e+02 3.369559111e+02 1.36 3.145143812e+02 3.145143812e+02 1.38 2.935728253e+02 2.935728253e+02 1.40 2.740198109e+02 2.740198109e+02 1.42 2.557519513e+02 2.557519513e+02 1.44 2.386751457e+02 2.386751457e+02 1.46 2.227036257e+02 2.227036257e+02 1.48 2.077583496e+02 2.077583496e+02 1.50 1.937663673e+02 1.937663673e+02 1.52 1.806603974e+02 1.806603974e+02 1.54 1.683780511e+02 1.683780511e+02 1.56 1.568608033e+02 1.568608033e+02 1.58 1.460536449e+02 1.460536449e+02 1.60 1.359055386e+02 1.359055386e+02 1.62 1.263700348e+02 1.263700348e+02 1.64 1.174053293e+02 1.174053293e+02 1.66 1.089737671e+02 1.089737671e+02 1.68 1.010413273e+02 1.010413273e+02 1.70 9.357704269e+01 9.357704269e+01 1.72 8.655250506e+01 8.655250506e+01 1.74 7.994108539e+01 7.994108539e+01 1.76 7.371712168e+01 7.371712168e+01 1.78 6.785552384e+01 6.785552384e+01 1.80 6.233211629e+01 6.233211629e+01 1.82 5.712466654e+01 5.712466654e+01 1.84 5.221330093e+01 5.221330093e+01 1.86 4.759780437e+01 4.759780437e+01 1.88 4.332071662e+01 4.332071662e+01 1.90 3.936695132e+01 3.936695132e+01 1.92 3.571278941e+01 3.571278941e+01 1.94 3.233609456e+01 3.233609456e+01 1.96 2.921627090e+01 2.921627090e+01 1.98 2.633418544e+01 2.633418544e+01 2.00 2.367208740e+01 2.367208740e+01 2.02 2.121353633e+01 2.121353633e+01 2.04 1.894334724e+01 1.894334724e+01 2.06 1.684753150e+01 1.684753150e+01 2.08 1.491323336e+01 1.491323336e+01 2.10 1.312861217e+01 1.312861217e+01 2.12 1.148272583e+01 1.148272583e+01 2.14 9.965405546e+00 9.965405546e+00 2.16 8.567162926e+00 8.567162926e+00 2.18 7.279142787e+00 7.279142787e+00 2.20 6.093124160e+00 6.093124160e+00 2.22 5.001521967e+00 5.001521967e+00 2.24 3.997386255e+00 3.997386255e+00 2.26 3.074384232e+00 3.074384232e+00 2.28 2.226777480e+00 2.226777480e+00 2.30 1.449365571e+00 1.449365571e+00 2.32 7.374353678e-01 7.374353678e-01 2.34 8.668330153e-02 8.668330153e-02 2.36 -5.068623220e-01 -5.068623220e-01 2.38 -1.046915809e+00 -1.046915809e+00 2.40 -1.536996319e+00 -1.536996319e+00 2.42 -1.980479940e+00 -1.980479940e+00 2.44 -2.380630891e+00 -2.380630891e+00 2.46 -2.740627806e+00 -2.740627806e+00 2.48 -3.063572111e+00 -3.063572111e+00 2.50 -3.352481942e+00 -3.352481942e+00 2.52 -3.610269759e+00 -3.610269759e+00 2.54 -3.839705904e+00 -3.839705904e+00 2.56 -4.043374787e+00 -4.043374787e+00 2.58 -4.223661577e+00 -4.223661577e+00 2.60 -4.382705937e+00 -4.382705937e+00 2.62 -4.522414151e+00 -4.522414151e+00 2.64 -4.645429853e+00 -4.645429853e+00 2.66 -4.753034188e+00 -4.753034188e+00 2.68 -4.846086900e+00 -4.846086900e+00 2.70 -4.925381842e+00 -4.925381842e+00 2.72 -4.991663502e+00 -4.991663502e+00 2.74 -5.045632396e+00 -5.045632396e+00 2.76 -5.087868551e+00 -5.087868551e+00 2.78 -5.118878999e+00 -5.118878999e+00 2.80 -5.139182624e+00 -5.139182624e+00 2.82 -5.149300489e+00 -5.149300489e+00 2.84 -5.149765711e+00 -5.149765711e+00 2.86 -5.141127543e+00 -5.141127543e+00 2.88 -5.123959819e+00 -5.123959819e+00 2.90 -5.098869120e+00 -5.098869120e+00 2.92 -5.066499478e+00 -5.066499478e+00 2.94 -5.027530593e+00 -5.027530593e+00 2.96 -4.982856519e+00 -4.982856519e+00 2.98 -4.933569351e+00 -4.933569351e+00 3.00 -4.880157056e+00 -4.880157056e+00 3.02 -4.823075996e+00 -4.823075996e+00 3.04 -4.762753240e+00 -4.762753240e+00 3.06 -4.699579084e+00 -4.699579084e+00 3.08 -4.633877987e+00 -4.633877987e+00 3.10 -4.565922644e+00 -4.565922644e+00 3.12 -4.495935583e+00 -4.495935583e+00 3.14 -4.424109317e+00 -4.424109317e+00 3.16 -4.350620133e+00 -4.350620133e+00 3.18 -4.275670706e+00 -4.275670706e+00 3.20 -4.199451640e+00 -4.199451640e+00 3.22 -4.122141347e+00 -4.122141347e+00 3.24 -4.043911718e+00 -4.043911718e+00 3.26 -3.964932810e+00 -3.964932810e+00 3.28 -3.885376396e+00 -3.885376396e+00 3.30 -3.805417616e+00 -3.805417616e+00 3.32 -3.725234017e+00 -3.725234017e+00 3.34 -3.645001933e+00 -3.645001933e+00 3.36 -3.564891091e+00 -3.564891091e+00 3.38 -3.485059011e+00 -3.485059011e+00 3.40 -3.405645781e+00 -3.405645781e+00 3.42 -3.326775948e+00 -3.326775948e+00 3.44 -3.248552333e+00 -3.248552333e+00 3.46 -3.171064811e+00 -3.171064811e+00 3.48 -3.094423975e+00 -3.094423975e+00 3.50 -3.018746508e+00 -3.018746508e+00 3.52 -2.944127821e+00 -2.944127821e+00 3.54 -2.870644116e+00 -2.870644116e+00 3.56 -2.798354321e+00 -2.798354321e+00 3.58 -2.727301373e+00 -2.727301373e+00 3.60 -2.657513139e+00 -2.657513139e+00 3.62 -2.589003175e+00 -2.589003175e+00 3.64 -2.521771540e+00 -2.521771540e+00 3.66 -2.455805825e+00 -2.455805825e+00 3.68 -2.391082508e+00 -2.391082508e+00 3.70 -2.327568744e+00 -2.327568744e+00 3.72 -2.265224605e+00 -2.265224605e+00 3.74 -2.204005768e+00 -2.204005768e+00 3.76 -2.143866523e+00 -2.143866523e+00 3.78 -2.084762899e+00 -2.084762899e+00 3.80 -2.026655598e+00 -2.026655598e+00 3.82 -1.969512376e+00 -1.969512376e+00 3.84 -1.913309491e+00 -1.913309491e+00 3.86 -1.858031943e+00 -1.858031943e+00 3.88 -1.803672441e+00 -1.803672441e+00 3.90 -1.750229289e+00 -1.750229289e+00 3.92 -1.697702438e+00 -1.697702438e+00 3.94 -1.646095930e+00 -1.646095930e+00 3.96 -1.595407735e+00 -1.595407735e+00 3.98 -1.545634709e+00 -1.545634709e+00 4.00 -1.496771545e+00 -1.496771545e+00 4.02 -1.448812523e+00 -1.448812523e+00 4.04 -1.401754070e+00 -1.401754070e+00 4.06 -1.355597645e+00 -1.355597645e+00 4.08 -1.310352377e+00 -1.310352377e+00 4.10 -1.266033263e+00 -1.266033263e+00 4.12 -1.222677559e+00 -1.222677559e+00 4.14 -1.180319778e+00 -1.180319778e+00 4.16 -1.139007206e+00 -1.139007206e+00 4.18 -1.098792335e+00 -1.098792335e+00 4.20 -1.059728987e+00 -1.059728987e+00 4.22 -1.021867951e+00 -1.021867951e+00 4.24 -9.852526034e-01 -9.852526034e-01 4.26 -9.499149996e-01 -9.499149996e-01 4.28 -9.158728593e-01 -9.158728593e-01 4.30 -8.831277143e-01 -8.831277143e-01 4.32 -8.516643388e-01 -8.516643388e-01 4.34 -8.214513940e-01 -8.214513940e-01 4.36 -7.924430818e-01 -7.924430818e-01 4.38 -7.645815130e-01 -7.645815130e-01 4.40 -7.377994665e-01 -7.377994665e-01 4.42 -7.120232472e-01 -7.120232472e-01 4.44 -6.871754112e-01 -6.871754112e-01 4.46 -6.631772105e-01 -6.631772105e-01 4.48 -6.399506861e-01 -6.399506861e-01 4.50 -6.174204036e-01 -6.174204036e-01 4.52 -5.955148695e-01 -5.955148695e-01 4.54 -5.741676919e-01 -5.741676919e-01 4.56 -5.533185528e-01 -5.533185528e-01 4.58 -5.329140544e-01 -5.329140544e-01 4.60 -5.129084812e-01 -5.129084812e-01 4.62 -4.932644970e-01 -4.932644970e-01 4.64 -4.739537693e-01 -4.739537693e-01 4.66 -4.549574869e-01 -4.549574869e-01 4.68 -4.362667165e-01 -4.362667165e-01 4.70 -4.178825277e-01 -4.178825277e-01 4.72 -3.998158123e-01 -3.998158123e-01 4.74 -3.820867335e-01 -3.820867335e-01 4.76 -3.647237597e-01 -3.647237597e-01 4.78 -3.477622713e-01 -3.477622713e-01 4.80 -3.312396261e-01 -3.312396261e-01 4.82 -3.152061595e-01 -3.152061595e-01 4.84 -2.997023031e-01 -2.997023031e-01 4.86 -2.847705831e-01 -2.847705831e-01 4.88 -2.704495524e-01 -2.704495524e-01 4.90 -2.567717752e-01 -2.567717752e-01 4.92 -2.437622152e-01 -2.437622152e-01 4.94 -2.314371296e-01 -2.314371296e-01 4.96 -2.198035176e-01 -2.198035176e-01 4.98 -2.088591248e-01 -2.088591248e-01 5.00 -1.985929500e-01 -1.985929500e-01 5.02 -1.889861608e-01 -1.889861608e-01 5.04 -1.800131728e-01 -1.800131728e-01 5.06 -1.716431774e-01 -1.716431774e-01 5.08 -1.638418366e-01 -1.638418366e-01 5.10 -1.565722792e-01 -1.565722792e-01 5.12 -1.497963802e-01 -1.497963802e-01 5.14 -1.434758661e-01 -1.434758661e-01 5.16 -1.375732145e-01 -1.375732145e-01 5.18 -1.320523476e-01 -1.320523476e-01 5.20 -1.268791361e-01 -1.268791361e-01 5.22 -1.220217336e-01 -1.220217336e-01 5.24 -1.174507702e-01 -1.174507702e-01 5.26 -1.131394332e-01 -1.131394332e-01 5.28 -1.090634617e-01 -1.090634617e-01 5.30 -1.052010758e-01 -1.052010758e-01 5.32 -1.015328629e-01 -1.015328629e-01 5.34 -9.804163165e-02 -9.804163165e-02 5.36 -9.471224848e-02 -9.471224848e-02 5.38 -9.153146067e-02 -9.153146067e-02 5.40 -8.848771346e-02 -8.848771346e-02 5.42 -8.557096344e-02 -8.557096344e-02 5.44 -8.277249134e-02 -8.277249134e-02 5.46 -8.008471512e-02 -8.008471512e-02 5.48 -7.750101064e-02 -7.750101064e-02 5.50 -7.501554300e-02 -7.501554300e-02 5.52 -7.262310210e-02 -7.262310210e-02 5.54 -7.031895830e-02 -7.031895830e-02 5.56 -6.809873787e-02 -6.809873787e-02 5.58 -6.595832034e-02 -6.595832034e-02 5.60 -6.389401868e-02 -6.389401868e-02 5.62 -6.190228332e-02 -6.190228332e-02 5.64 -5.997902846e-02 -5.997902846e-02 5.66 -5.812032883e-02 -5.812032883e-02 5.68 -5.632240266e-02 -5.632240266e-02 5.70 -5.458158659e-02 -5.458158659e-02 5.72 -5.289431871e-02 -5.289431871e-02 5.74 -5.125712791e-02 -5.125712791e-02 5.76 -4.966662767e-02 -4.966662767e-02 5.78 -4.811951261e-02 -4.811951261e-02 5.80 -4.661255668e-02 -4.661255668e-02 5.82 -4.514261216e-02 -4.514261216e-02 5.84 -4.370660918e-02 -4.370660918e-02 5.86 -4.230155594e-02 -4.230155594e-02 5.88 -4.092454011e-02 -4.092454011e-02 5.90 -3.957273195e-02 -3.957273195e-02 5.92 -3.824339003e-02 -3.824339003e-02 5.94 -3.693387059e-02 -3.693387059e-02 5.96 -3.564164119e-02 -3.564164119e-02 5.98 -3.436429982e-02 -3.436429982e-02 6.00 -3.309959834e-02 -3.309959834e-02