# 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 = MoNi2Pb # 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 2.371143606e+02 2.371143606e+02 1.30 2.197103246e+02 2.197103246e+02 1.32 2.035866430e+02 2.035866430e+02 1.34 1.886510254e+02 1.886510254e+02 1.36 1.748178718e+02 1.748178718e+02 1.38 1.620048148e+02 1.620048148e+02 1.40 1.501317450e+02 1.501317450e+02 1.42 1.391222239e+02 1.391222239e+02 1.44 1.289053655e+02 1.289053655e+02 1.46 1.194167730e+02 1.194167730e+02 1.48 1.105985279e+02 1.105985279e+02 1.50 1.023987337e+02 1.023987337e+02 1.52 9.477086232e+01 9.477086232e+01 1.54 8.767291336e+01 8.767291336e+01 1.56 8.106648574e+01 8.106648574e+01 1.58 7.491603260e+01 7.491603260e+01 1.60 6.918850933e+01 6.918850933e+01 1.62 6.385344632e+01 6.385344632e+01 1.64 5.888315027e+01 5.888315027e+01 1.66 5.425270764e+01 5.425270764e+01 1.68 4.993976086e+01 4.993976086e+01 1.70 4.592574590e+01 4.592574590e+01 1.72 4.219548429e+01 4.219548429e+01 1.74 3.873493567e+01 3.873493567e+01 1.76 3.552510710e+01 3.552510710e+01 1.78 3.254760875e+01 3.254760875e+01 1.80 2.978493321e+01 2.978493321e+01 1.82 2.722072632e+01 2.722072632e+01 1.84 2.483998744e+01 2.483998744e+01 1.86 2.262915712e+01 2.262915712e+01 1.88 2.057607556e+01 2.057607556e+01 1.90 1.866981166e+01 1.866981166e+01 1.92 1.690043093e+01 1.690043093e+01 1.94 1.525878011e+01 1.525878011e+01 1.96 1.373632430e+01 1.373632430e+01 1.98 1.232505361e+01 1.232505361e+01 2.00 1.101742563e+01 1.101742563e+01 2.02 9.806319933e+00 9.806319933e+00 2.04 8.684993340e+00 8.684993340e+00 2.06 7.647046137e+00 7.647046137e+00 2.08 6.686408187e+00 6.686408187e+00 2.10 5.797350018e+00 5.797350018e+00 2.12 4.974509917e+00 4.974509917e+00 2.14 4.212922767e+00 4.212922767e+00 2.16 3.508040390e+00 3.508040390e+00 2.18 2.855731652e+00 2.855731652e+00 2.20 2.252256845e+00 2.252256845e+00 2.22 1.694226045e+00 1.694226045e+00 2.24 1.178549501e+00 1.178549501e+00 2.26 7.023912286e-01 7.023912286e-01 2.28 2.631241377e-01 2.631241377e-01 2.30 -1.417056316e-01 -1.417056316e-01 2.32 -5.144243755e-01 -5.144243755e-01 2.34 -8.572571939e-01 -8.572571939e-01 2.36 -1.172345113e+00 -1.172345113e+00 2.38 -1.461710100e+00 -1.461710100e+00 2.40 -1.727134522e+00 -1.727134522e+00 2.42 -1.970515976e+00 -1.970515976e+00 2.44 -2.193591667e+00 -2.193591667e+00 2.46 -2.397882413e+00 -2.397882413e+00 2.48 -2.584717979e+00 -2.584717979e+00 2.50 -2.755268172e+00 -2.755268172e+00 2.52 -2.910572895e+00 -2.910572895e+00 2.54 -3.051550701e+00 -3.051550701e+00 2.56 -3.178890537e+00 -3.178890537e+00 2.58 -3.293178361e+00 -3.293178361e+00 2.60 -3.394995149e+00 -3.394995149e+00 2.62 -3.484917240e+00 -3.484917240e+00 2.64 -3.563527671e+00 -3.563527671e+00 2.66 -3.631418480e+00 -3.631418480e+00 2.68 -3.689198073e+00 -3.689198073e+00 2.70 -3.737492926e+00 -3.737492926e+00 2.72 -3.776944844e+00 -3.776944844e+00 2.74 -3.808201249e+00 -3.808201249e+00 2.76 -3.831816442e+00 -3.831816442e+00 2.78 -3.848149337e+00 -3.848149337e+00 2.80 -3.857542094e+00 -3.857542094e+00 2.82 -3.860328724e+00 -3.860328724e+00 2.84 -3.856821889e+00 -3.856821889e+00 2.86 -3.847307062e+00 -3.847307062e+00 2.88 -3.832044307e+00 -3.832044307e+00 2.90 -3.811275179e+00 -3.811275179e+00 2.92 -3.785232165e+00 -3.785232165e+00 2.94 -3.754148390e+00 -3.754148390e+00 2.96 -3.718265953e+00 -3.718265953e+00 2.98 -3.677841770e+00 -3.677841770e+00 3.00 -3.633150298e+00 -3.633150298e+00 3.02 -3.584507416e+00 -3.584507416e+00 3.04 -3.532252148e+00 -3.532252148e+00 3.06 -3.476584517e+00 -3.476584517e+00 3.08 -3.417735415e+00 -3.417735415e+00 3.10 -3.355970549e+00 -3.355970549e+00 3.12 -3.291571417e+00 -3.291571417e+00 3.14 -3.224805638e+00 -3.224805638e+00 3.16 -3.155916454e+00 -3.155916454e+00 3.18 -3.085146605e+00 -3.085146605e+00 3.20 -3.012730952e+00 -3.012730952e+00 3.22 -2.938891705e+00 -2.938891705e+00 3.24 -2.863837013e+00 -2.863837013e+00 3.26 -2.787762436e+00 -2.787762436e+00 3.28 -2.710854755e+00 -2.710854755e+00 3.30 -2.633297456e+00 -2.633297456e+00 3.32 -2.555277008e+00 -2.555277008e+00 3.34 -2.476988941e+00 -2.476988941e+00 3.36 -2.398642680e+00 -2.398642680e+00 3.38 -2.320464247e+00 -2.320464247e+00 3.40 -2.242695982e+00 -2.242695982e+00 3.42 -2.165594399e+00 -2.165594399e+00 3.44 -2.089422869e+00 -2.089422869e+00 3.46 -2.014444518e+00 -2.014444518e+00 3.48 -1.940912490e+00 -1.940912490e+00 3.50 -1.869060224e+00 -1.869060224e+00 3.52 -1.799092571e+00 -1.799092571e+00 3.54 -1.731178699e+00 -1.731178699e+00 3.56 -1.665447469e+00 -1.665447469e+00 3.58 -1.601985573e+00 -1.601985573e+00 3.60 -1.540838408e+00 -1.540838408e+00 3.62 -1.482013321e+00 -1.482013321e+00 3.64 -1.425484695e+00 -1.425484695e+00 3.66 -1.371200206e+00 -1.371200206e+00 3.68 -1.319087636e+00 -1.319087636e+00 3.70 -1.269061657e+00 -1.269061657e+00 3.72 -1.221030160e+00 -1.221030160e+00 3.74 -1.174899816e+00 -1.174899816e+00 3.76 -1.130580674e+00 -1.130580674e+00 3.78 -1.087989709e+00 -1.087989709e+00 3.80 -1.047053249e+00 -1.047053249e+00 3.82 -1.007708239e+00 -1.007708239e+00 3.84 -9.699023066e-01 -9.699023066e-01 3.86 -9.335926232e-01 -9.335926232e-01 3.88 -8.987436709e-01 -8.987436709e-01 3.90 -8.653241508e-01 -8.653241508e-01 3.92 -8.333029712e-01 -8.333029712e-01 3.94 -8.026477479e-01 -8.026477479e-01 3.96 -7.733187839e-01 -7.733187839e-01 3.98 -7.452693375e-01 -7.452693375e-01 4.00 -7.184442776e-01 -7.184442776e-01 4.02 -6.927804479e-01 -6.927804479e-01 4.04 -6.682079254e-01 -6.682079254e-01 4.06 -6.446518406e-01 -6.446518406e-01 4.08 -6.220344136e-01 -6.220344136e-01 4.10 -6.002758274e-01 -6.002758274e-01 4.12 -5.793005195e-01 -5.793005195e-01 4.14 -5.590313555e-01 -5.590313555e-01 4.16 -5.393957352e-01 -5.393957352e-01 4.18 -5.203250256e-01 -5.203250256e-01 4.20 -5.017551576e-01 -5.017551576e-01 4.22 -4.836271445e-01 -4.836271445e-01 4.24 -4.658876150e-01 -4.658876150e-01 4.26 -4.484894331e-01 -4.484894331e-01 4.28 -4.313924448e-01 -4.313924448e-01 4.30 -4.145643596e-01 -4.145643596e-01 4.32 -3.979817280e-01 -3.979817280e-01 4.34 -3.816309346e-01 -3.816309346e-01 4.36 -3.655090778e-01 -3.655090778e-01 4.38 -3.496245730e-01 -3.496245730e-01 4.40 -3.339972940e-01 -3.339972940e-01 4.42 -3.186580763e-01 -3.186580763e-01 4.44 -3.036474498e-01 -3.036474498e-01 4.46 -2.890135535e-01 -2.890135535e-01 4.48 -2.748092986e-01 -2.748092986e-01 4.50 -2.610889748e-01 -2.610889748e-01 4.52 -2.479046056e-01 -2.479046056e-01 4.54 -2.353024265e-01 -2.353024265e-01 4.56 -2.233198618e-01 -2.233198618e-01 4.58 -2.119833081e-01 -2.119833081e-01 4.60 -2.013069063e-01 -2.013069063e-01 4.62 -1.912923483e-01 -1.912923483e-01 4.64 -1.819296204e-01 -1.819296204e-01 4.66 -1.731984695e-01 -1.731984695e-01 4.68 -1.650703261e-01 -1.650703261e-01 4.70 -1.575104434e-01 -1.575104434e-01 4.72 -1.504799929e-01 -1.504799929e-01 4.74 -1.439372910e-01 -1.439372910e-01 4.76 -1.378412233e-01 -1.378412233e-01 4.78 -1.321517080e-01 -1.321517080e-01 4.80 -1.268293266e-01 -1.268293266e-01 4.82 -1.218394215e-01 -1.218394215e-01 4.84 -1.171473850e-01 -1.171473850e-01 4.86 -1.127224965e-01 -1.127224965e-01 4.88 -1.085370185e-01 -1.085370185e-01 4.90 -1.045661181e-01 -1.045661181e-01 4.92 -1.007877103e-01 -1.007877103e-01 4.94 -9.718225774e-02 -9.718225774e-02 4.96 -9.373255125e-02 -9.373255125e-02 4.98 -9.042349064e-02 -9.042349064e-02 5.00 -8.724187755e-02 -8.724187755e-02 5.02 -8.417622694e-02 -8.417622694e-02 5.04 -8.121660080e-02 -8.121660080e-02 5.06 -7.835446482e-02 -7.835446482e-02 5.08 -7.558256562e-02 -7.558256562e-02 5.10 -7.289482571e-02 -7.289482571e-02 5.12 -7.028625396e-02 -7.028625396e-02 5.14 -6.775286334e-02 -6.775286334e-02 5.16 -6.529159151e-02 -6.529159151e-02 5.18 -6.290021851e-02 -6.290021851e-02 5.20 -6.057727682e-02 -6.057727682e-02 5.22 -5.832194988e-02 -5.832194988e-02 5.24 -5.613395708e-02 -5.613395708e-02 5.26 -5.401341768e-02 -5.401341768e-02 5.28 -5.196062874e-02 -5.196062874e-02 5.30 -4.997612399e-02 -4.997612399e-02 5.32 -4.806045424e-02 -4.806045424e-02 5.34 -4.621401094e-02 -4.621401094e-02 5.36 -4.443690999e-02 -4.443690999e-02 5.38 -4.272889961e-02 -4.272889961e-02 5.40 -4.108929697e-02 -4.108929697e-02 5.42 -3.951695551e-02 -3.951695551e-02 5.44 -3.801026232e-02 -3.801026232e-02 5.46 -3.656716216e-02 -3.656716216e-02 5.48 -3.518520321e-02 -3.518520321e-02 5.50 -3.386159828e-02 -3.386159828e-02 5.52 -3.259329517e-02 -3.259329517e-02 5.54 -3.137705037e-02 -3.137705037e-02 5.56 -3.020950107e-02 -3.020950107e-02 5.58 -2.908723188e-02 -2.908723188e-02 5.60 -2.800683393e-02 -2.800683393e-02 5.62 -2.696495512e-02 -2.696495512e-02 5.64 -2.595834124e-02 -2.595834124e-02 5.66 -2.498386892e-02 -2.498386892e-02 5.68 -2.403857127e-02 -2.403857127e-02 5.70 -2.311965759e-02 -2.311965759e-02 5.72 -2.222452867e-02 -2.222452867e-02 5.74 -2.135078903e-02 -2.135078903e-02 5.76 -2.049625744e-02 -2.049625744e-02 5.78 -1.965897660e-02 -1.965897660e-02 5.80 -1.883722281e-02 -1.883722281e-02 5.82 -1.802951592e-02 -1.802951592e-02 5.84 -1.723462968e-02 -1.723462968e-02 5.86 -1.645160217e-02 -1.645160217e-02 5.88 -1.567974572e-02 -1.567974572e-02 5.90 -1.491865526e-02 -1.491865526e-02 5.92 -1.416821416e-02 -1.416821416e-02 5.94 -1.342858192e-02 -1.342858192e-02 5.96 -1.270014038e-02 -1.270014038e-02 5.98 -1.198363137e-02 -1.198363137e-02 6.00 -1.128006835e-02 -1.128006835e-02