# 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 = AuCuMg2 # 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 3.017768759e+02 3.017768759e+02 1.30 2.791848273e+02 2.791848273e+02 1.32 2.583108205e+02 2.583108205e+02 1.34 2.390145541e+02 2.390145541e+02 1.36 2.211680061e+02 2.211680061e+02 1.38 2.046553780e+02 2.046553780e+02 1.40 1.893717202e+02 1.893717202e+02 1.42 1.752209654e+02 1.752209654e+02 1.44 1.621142875e+02 1.621142875e+02 1.46 1.499691726e+02 1.499691726e+02 1.48 1.387092509e+02 1.387092509e+02 1.50 1.282646260e+02 1.282646260e+02 1.52 1.185720981e+02 1.185720981e+02 1.54 1.095747379e+02 1.095747379e+02 1.56 1.012208885e+02 1.012208885e+02 1.58 9.346350476e+01 9.346350476e+01 1.60 8.626953881e+01 8.626953881e+01 1.62 7.960195697e+01 7.960195697e+01 1.64 7.342137537e+01 7.342137537e+01 1.66 6.769167707e+01 6.769167707e+01 1.68 6.238000015e+01 6.238000015e+01 1.70 5.745623469e+01 5.745623469e+01 1.72 5.289277227e+01 5.289277227e+01 1.74 4.866412977e+01 4.866412977e+01 1.76 4.474651872e+01 4.474651872e+01 1.78 4.111753418e+01 4.111753418e+01 1.80 3.775605690e+01 3.775605690e+01 1.82 3.464230997e+01 3.464230997e+01 1.84 3.175793298e+01 3.175793298e+01 1.86 2.908598811e+01 2.908598811e+01 1.88 2.661087073e+01 2.661087073e+01 1.90 2.431816660e+01 2.431816660e+01 1.92 2.219450777e+01 2.219450777e+01 1.94 2.022746660e+01 2.022746660e+01 1.96 1.840550821e+01 1.840550821e+01 1.98 1.671798223e+01 1.671798223e+01 2.00 1.515511813e+01 1.515511813e+01 2.02 1.370799130e+01 1.370799130e+01 2.04 1.236845297e+01 1.236845297e+01 2.06 1.112903358e+01 1.112903358e+01 2.08 9.982838971e+00 9.982838971e+00 2.10 8.923462328e+00 8.923462328e+00 2.12 7.944920092e+00 7.944920092e+00 2.14 7.041613046e+00 7.041613046e+00 2.16 6.208302977e+00 6.208302977e+00 2.18 5.440091856e+00 5.440091856e+00 2.20 4.732399802e+00 4.732399802e+00 2.22 4.080936467e+00 4.080936467e+00 2.24 3.481673187e+00 3.481673187e+00 2.26 2.930818844e+00 2.930818844e+00 2.28 2.424800231e+00 2.424800231e+00 2.30 1.960254487e+00 1.960254487e+00 2.32 1.534024979e+00 1.534024979e+00 2.34 1.143171399e+00 1.143171399e+00 2.36 7.849808085e-01 7.849808085e-01 2.38 4.569759335e-01 4.569759335e-01 2.40 1.569100777e-01 1.569100777e-01 2.42 -1.172543501e-01 -1.172543501e-01 2.44 -3.673764064e-01 -3.673764064e-01 2.46 -5.951705153e-01 -5.951705153e-01 2.48 -8.022339404e-01 -8.022339404e-01 2.50 -9.900710445e-01 -9.900710445e-01 2.52 -1.160172236e+00 -1.160172236e+00 2.54 -1.313877607e+00 -1.313877607e+00 2.56 -1.452573907e+00 -1.452573907e+00 2.58 -1.577170372e+00 -1.577170372e+00 2.60 -1.688516329e+00 -1.688516329e+00 2.62 -1.787457587e+00 -1.787457587e+00 2.64 -1.874823934e+00 -1.874823934e+00 2.66 -1.951416265e+00 -1.951416265e+00 2.68 -2.017996232e+00 -2.017996232e+00 2.70 -2.075293648e+00 -2.075293648e+00 2.72 -2.124029238e+00 -2.124029238e+00 2.74 -2.164885303e+00 -2.164885303e+00 2.76 -2.198496673e+00 -2.198496673e+00 2.78 -2.225447589e+00 -2.225447589e+00 2.80 -2.246270494e+00 -2.246270494e+00 2.82 -2.261444995e+00 -2.261444995e+00 2.84 -2.271403189e+00 -2.271403189e+00 2.86 -2.276536539e+00 -2.276536539e+00 2.88 -2.277204618e+00 -2.277204618e+00 2.90 -2.273743860e+00 -2.273743860e+00 2.92 -2.266475162e+00 -2.266475162e+00 2.94 -2.255709806e+00 -2.255709806e+00 2.96 -2.241753568e+00 -2.241753568e+00 2.98 -2.224909096e+00 -2.224909096e+00 3.00 -2.205476650e+00 -2.205476650e+00 3.02 -2.183753183e+00 -2.183753183e+00 3.04 -2.160029516e+00 -2.160029516e+00 3.06 -2.134587344e+00 -2.134587344e+00 3.08 -2.107692328e+00 -2.107692328e+00 3.10 -2.079589981e+00 -2.079589981e+00 3.12 -2.050500329e+00 -2.050500329e+00 3.14 -2.020625511e+00 -2.020625511e+00 3.16 -1.990158948e+00 -1.990158948e+00 3.18 -1.959206508e+00 -1.959206508e+00 3.20 -1.927850351e+00 -1.927850351e+00 3.22 -1.896160545e+00 -1.896160545e+00 3.24 -1.864198709e+00 -1.864198709e+00 3.26 -1.832021428e+00 -1.832021428e+00 3.28 -1.799682881e+00 -1.799682881e+00 3.30 -1.767235992e+00 -1.767235992e+00 3.32 -1.734711306e+00 -1.734711306e+00 3.34 -1.702099367e+00 -1.702099367e+00 3.36 -1.669397148e+00 -1.669397148e+00 3.38 -1.636610655e+00 -1.636610655e+00 3.40 -1.603752332e+00 -1.603752332e+00 3.42 -1.570839598e+00 -1.570839598e+00 3.44 -1.537893202e+00 -1.537893202e+00 3.46 -1.504936808e+00 -1.504936808e+00 3.48 -1.471996273e+00 -1.471996273e+00 3.50 -1.439099004e+00 -1.439099004e+00 3.52 -1.406273279e+00 -1.406273279e+00 3.54 -1.373547528e+00 -1.373547528e+00 3.56 -1.340949668e+00 -1.340949668e+00 3.58 -1.308506560e+00 -1.308506560e+00 3.60 -1.276243641e+00 -1.276243641e+00 3.62 -1.244184780e+00 -1.244184780e+00 3.64 -1.212352385e+00 -1.212352385e+00 3.66 -1.180767754e+00 -1.180767754e+00 3.68 -1.149451664e+00 -1.149451664e+00 3.70 -1.118425144e+00 -1.118425144e+00 3.72 -1.087710377e+00 -1.087710377e+00 3.74 -1.057331608e+00 -1.057331608e+00 3.76 -1.027315925e+00 -1.027315925e+00 3.78 -9.976937554e-01 -9.976937554e-01 3.80 -9.684988982e-01 -9.684988982e-01 3.82 -9.397679676e-01 -9.397679676e-01 3.84 -9.115391970e-01 -9.115391970e-01 3.86 -8.838506521e-01 -8.838506521e-01 3.88 -8.567380407e-01 -8.567380407e-01 3.90 -8.302324027e-01 -8.302324027e-01 3.92 -8.043578354e-01 -8.043578354e-01 3.94 -7.791306971e-01 -7.791306971e-01 3.96 -7.545575616e-01 -7.545575616e-01 3.98 -7.306360509e-01 -7.306360509e-01 4.00 -7.073553047e-01 -7.073553047e-01 4.02 -6.846972254e-01 -6.846972254e-01 4.04 -6.626380388e-01 -6.626380388e-01 4.06 -6.411499596e-01 -6.411499596e-01 4.08 -6.202027902e-01 -6.202027902e-01 4.10 -5.997648028e-01 -5.997648028e-01 4.12 -5.798062871e-01 -5.798062871e-01 4.14 -5.602968976e-01 -5.602968976e-01 4.16 -5.412090956e-01 -5.412090956e-01 4.18 -5.225181613e-01 -5.225181613e-01 4.20 -5.042027894e-01 -5.042027894e-01 4.22 -4.862455970e-01 -4.862455970e-01 4.24 -4.686335445e-01 -4.686335445e-01 4.26 -4.513582622e-01 -4.513582622e-01 4.28 -4.344162600e-01 -4.344162600e-01 4.30 -4.178089940e-01 -4.178089940e-01 4.32 -4.015427621e-01 -4.015427621e-01 4.34 -3.856284028e-01 -3.856284028e-01 4.36 -3.700807788e-01 -3.700807788e-01 4.38 -3.549180353e-01 -3.549180353e-01 4.40 -3.401606363e-01 -3.401606363e-01 4.42 -3.258302017e-01 -3.258302017e-01 4.44 -3.119481911e-01 -3.119481911e-01 4.46 -2.985345086e-01 -2.985345086e-01 4.48 -2.856061270e-01 -2.856061270e-01 4.50 -2.731758469e-01 -2.731758469e-01 4.52 -2.612513030e-01 -2.612513030e-01 4.54 -2.498343107e-01 -2.498343107e-01 4.56 -2.389206077e-01 -2.389206077e-01 4.58 -2.284999970e-01 -2.284999970e-01 4.60 -2.185568516e-01 -2.185568516e-01 4.62 -2.090709065e-01 -2.090709065e-01 4.64 -2.000182414e-01 -2.000182414e-01 4.66 -1.913723570e-01 -1.913723570e-01 4.68 -1.831052558e-01 -1.831052558e-01 4.70 -1.751884626e-01 -1.751884626e-01 4.72 -1.675939394e-01 -1.675939394e-01 4.74 -1.602948704e-01 -1.602948704e-01 4.76 -1.532663128e-01 -1.532663128e-01 4.78 -1.464857150e-01 -1.464857150e-01 4.80 -1.399329179e-01 -1.399329179e-01 4.82 -1.335920794e-01 -1.335920794e-01 4.84 -1.274492629e-01 -1.274492629e-01 4.86 -1.214943097e-01 -1.214943097e-01 4.88 -1.157203134e-01 -1.157203134e-01 4.90 -1.101234579e-01 -1.101234579e-01 4.92 -1.047027372e-01 -1.047027372e-01 4.94 -9.945955917e-02 -9.945955917e-02 4.96 -9.439724311e-02 -9.439724311e-02 4.98 -8.952043175e-02 -8.952043175e-02 5.00 -8.483444845e-02 -8.483444845e-02 5.02 -8.034464025e-02 -8.034464025e-02 5.04 -7.605575329e-02 -7.605575329e-02 5.06 -7.197138689e-02 -7.197138689e-02 5.08 -6.809353888e-02 -6.809353888e-02 5.10 -6.442232164e-02 -6.442232164e-02 5.12 -6.095582030e-02 -6.095582030e-02 5.14 -5.769009674e-02 -5.769009674e-02 5.16 -5.461932465e-02 -5.461932465e-02 5.18 -5.173602863e-02 -5.173602863e-02 5.20 -4.903104517e-02 -4.903104517e-02 5.22 -4.649387720e-02 -4.649387720e-02 5.24 -4.411459736e-02 -4.411459736e-02 5.26 -4.188287580e-02 -4.188287580e-02 5.28 -3.978826257e-02 -3.978826257e-02 5.30 -3.782049662e-02 -3.782049662e-02 5.32 -3.596975301e-02 -3.596975301e-02 5.34 -3.422682837e-02 -3.422682837e-02 5.36 -3.258326747e-02 -3.258326747e-02 5.38 -3.103143549e-02 -3.103143549e-02 5.40 -2.956454186e-02 -2.956454186e-02 5.42 -2.817662190e-02 -2.817662190e-02 5.44 -2.686248314e-02 -2.686248314e-02 5.46 -2.561762360e-02 -2.561762360e-02 5.48 -2.443813038e-02 -2.443813038e-02 5.50 -2.332056720e-02 -2.332056720e-02 5.52 -2.226185968e-02 -2.226185968e-02 5.54 -2.125918687e-02 -2.125918687e-02 5.56 -2.030988614e-02 -2.030988614e-02 5.58 -1.941137655e-02 -1.941137655e-02 5.60 -1.856110373e-02 -1.856110373e-02 5.62 -1.775650642e-02 -1.775650642e-02 5.64 -1.699500287e-02 -1.699500287e-02 5.66 -1.627399361e-02 -1.627399361e-02 5.68 -1.559087597e-02 -1.559087597e-02 5.70 -1.494306595e-02 -1.494306595e-02 5.72 -1.432802293e-02 -1.432802293e-02 5.74 -1.374327372e-02 -1.374327372e-02 5.76 -1.318640605e-02 -1.318640605e-02 5.78 -1.265513143e-02 -1.265513143e-02 5.80 -1.214729960e-02 -1.214729960e-02 5.82 -1.166088572e-02 -1.166088572e-02 5.84 -1.119399388e-02 -1.119399388e-02 5.86 -1.074485722e-02 -1.074485722e-02 5.88 -1.031183563e-02 -1.031183563e-02 5.90 -9.893411862e-03 -9.893411862e-03 5.92 -9.488186987e-03 -9.488186987e-03 5.94 -9.094875952e-03 -9.094875952e-03 5.96 -8.712303820e-03 -8.712303820e-03 5.98 -8.339403191e-03 -8.339403191e-03 6.00 -7.975213117e-03 -7.975213117e-03