# 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 = Au2PbPt # 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 4.348519530e+02 4.348519530e+02 1.30 4.059728382e+02 4.059728382e+02 1.32 3.790616162e+02 3.790616162e+02 1.34 3.539692378e+02 3.539692378e+02 1.36 3.305590247e+02 3.305590247e+02 1.38 3.087031967e+02 3.087031967e+02 1.40 2.882831073e+02 2.882831073e+02 1.42 2.691916948e+02 2.691916948e+02 1.44 2.513346241e+02 2.513346241e+02 1.46 2.346284984e+02 2.346284984e+02 1.48 2.189973209e+02 2.189973209e+02 1.50 2.043691490e+02 2.043691490e+02 1.52 1.906740084e+02 1.906740084e+02 1.54 1.778435393e+02 1.778435393e+02 1.56 1.658120880e+02 1.658120880e+02 1.58 1.545184264e+02 1.545184264e+02 1.60 1.439071570e+02 1.439071570e+02 1.62 1.339292737e+02 1.339292737e+02 1.64 1.245417519e+02 1.245417519e+02 1.66 1.157065097e+02 1.157065097e+02 1.68 1.073893368e+02 1.073893368e+02 1.70 9.955912333e+01 9.955912333e+01 1.72 9.218735987e+01 9.218735987e+01 1.74 8.524750836e+01 8.524750836e+01 1.76 7.871511606e+01 7.871511606e+01 1.78 7.258303079e+01 7.258303079e+01 1.80 6.685629512e+01 6.685629512e+01 1.82 6.154877272e+01 6.154877272e+01 1.84 5.662763336e+01 5.662763336e+01 1.86 5.206192983e+01 5.206192983e+01 1.88 4.782432534e+01 4.782432534e+01 1.90 4.389085345e+01 4.389085345e+01 1.92 4.024037552e+01 4.024037552e+01 1.94 3.685390349e+01 3.685390349e+01 1.96 3.371394938e+01 3.371394938e+01 1.98 3.080402229e+01 3.080402229e+01 2.00 2.810833983e+01 2.810833983e+01 2.02 2.561174730e+01 2.561174730e+01 2.04 2.329977887e+01 2.329977887e+01 2.06 2.115877708e+01 2.115877708e+01 2.08 1.917600048e+01 1.917600048e+01 2.10 1.733966895e+01 1.733966895e+01 2.12 1.563894619e+01 1.563894619e+01 2.14 1.406387562e+01 1.406387562e+01 2.16 1.260529896e+01 1.260529896e+01 2.18 1.125478239e+01 1.125478239e+01 2.20 1.000455444e+01 1.000455444e+01 2.22 8.847458329e+00 8.847458329e+00 2.24 7.776909664e+00 7.776909664e+00 2.26 6.786856186e+00 6.786856186e+00 2.28 5.871737234e+00 5.871737234e+00 2.30 5.026438575e+00 5.026438575e+00 2.32 4.246248761e+00 4.246248761e+00 2.34 3.526812095e+00 3.526812095e+00 2.36 2.864088526e+00 2.864088526e+00 2.38 2.254318186e+00 2.254318186e+00 2.40 1.693993403e+00 1.693993403e+00 2.42 1.179836871e+00 1.179836871e+00 2.44 7.087818751e-01 7.087818751e-01 2.46 2.779532069e-01 2.779532069e-01 2.48 -1.153542435e-01 -1.153542435e-01 2.50 -4.736985714e-01 -4.736985714e-01 2.52 -7.995139044e-01 -7.995139044e-01 2.54 -1.095757290e+00 -1.095757290e+00 2.56 -1.365557663e+00 -1.365557663e+00 2.58 -1.610669763e+00 -1.610669763e+00 2.60 -1.832783619e+00 -1.832783619e+00 2.62 -2.033527068e+00 -2.033527068e+00 2.64 -2.214441812e+00 -2.214441812e+00 2.66 -2.376962683e+00 -2.376962683e+00 2.68 -2.522406355e+00 -2.522406355e+00 2.70 -2.651968017e+00 -2.651968017e+00 2.72 -2.766726110e+00 -2.766726110e+00 2.74 -2.867652617e+00 -2.867652617e+00 2.76 -2.955626189e+00 -2.955626189e+00 2.78 -3.031445794e+00 -3.031445794e+00 2.80 -3.095854668e+00 -3.095854668e+00 2.82 -3.149652592e+00 -3.149652592e+00 2.84 -3.193412069e+00 -3.193412069e+00 2.86 -3.227637294e+00 -3.227637294e+00 2.88 -3.252840875e+00 -3.252840875e+00 2.90 -3.269553974e+00 -3.269553974e+00 2.92 -3.278336280e+00 -3.278336280e+00 2.94 -3.279783140e+00 -3.279783140e+00 2.96 -3.274526826e+00 -3.274526826e+00 2.98 -3.263229643e+00 -3.263229643e+00 3.00 -3.246563290e+00 -3.246563290e+00 3.02 -3.225185280e+00 -3.225185280e+00 3.04 -3.199723402e+00 -3.199723402e+00 3.06 -3.170758684e+00 -3.170758684e+00 3.08 -3.138804881e+00 -3.138804881e+00 3.10 -3.104305057e+00 -3.104305057e+00 3.12 -3.067630322e+00 -3.067630322e+00 3.14 -3.029087810e+00 -3.029087810e+00 3.16 -2.988927059e+00 -2.988927059e+00 3.18 -2.947352984e+00 -2.947352984e+00 3.20 -2.904535606e+00 -2.904535606e+00 3.22 -2.860618817e+00 -2.860618817e+00 3.24 -2.815727209e+00 -2.815727209e+00 3.26 -2.769971129e+00 -2.769971129e+00 3.28 -2.723450389e+00 -2.723450389e+00 3.30 -2.676257129e+00 -2.676257129e+00 3.32 -2.628508242e+00 -2.628508242e+00 3.34 -2.580352497e+00 -2.580352497e+00 3.36 -2.531903646e+00 -2.531903646e+00 3.38 -2.483266415e+00 -2.483266415e+00 3.40 -2.434538622e+00 -2.434538622e+00 3.42 -2.385812787e+00 -2.385812787e+00 3.44 -2.337175828e+00 -2.337175828e+00 3.46 -2.288709538e+00 -2.288709538e+00 3.48 -2.240490000e+00 -2.240490000e+00 3.50 -2.192584122e+00 -2.192584122e+00 3.52 -2.145045528e+00 -2.145045528e+00 3.54 -2.097922084e+00 -2.097922084e+00 3.56 -2.051256375e+00 -2.051256375e+00 3.58 -2.005085455e+00 -2.005085455e+00 3.60 -1.959440800e+00 -1.959440800e+00 3.62 -1.914348473e+00 -1.914348473e+00 3.64 -1.869829448e+00 -1.869829448e+00 3.66 -1.825900038e+00 -1.825900038e+00 3.68 -1.782572366e+00 -1.782572366e+00 3.70 -1.739854796e+00 -1.739854796e+00 3.72 -1.697752284e+00 -1.697752284e+00 3.74 -1.656266588e+00 -1.656266588e+00 3.76 -1.615396364e+00 -1.615396364e+00 3.78 -1.575137170e+00 -1.575137170e+00 3.80 -1.535481444e+00 -1.535481444e+00 3.82 -1.496418527e+00 -1.496418527e+00 3.84 -1.457934803e+00 -1.457934803e+00 3.86 -1.420013966e+00 -1.420013966e+00 3.88 -1.382637418e+00 -1.382637418e+00 3.90 -1.345784774e+00 -1.345784774e+00 3.92 -1.309434175e+00 -1.309434175e+00 3.94 -1.273563965e+00 -1.273563965e+00 3.96 -1.238151653e+00 -1.238151653e+00 3.98 -1.203175821e+00 -1.203175821e+00 4.00 -1.168616626e+00 -1.168616626e+00 4.02 -1.134456762e+00 -1.134456762e+00 4.04 -1.100682603e+00 -1.100682603e+00 4.06 -1.067285516e+00 -1.067285516e+00 4.08 -1.034263281e+00 -1.034263281e+00 4.10 -1.001620545e+00 -1.001620545e+00 4.12 -9.693741246e-01 -9.693741246e-01 4.14 -9.375474748e-01 -9.375474748e-01 4.16 -9.061754132e-01 -9.061754132e-01 4.18 -8.753023738e-01 -8.753023738e-01 4.20 -8.449809422e-01 -8.449809422e-01 4.22 -8.152695016e-01 -8.152695016e-01 4.24 -7.862291463e-01 -7.862291463e-01 4.26 -7.579201437e-01 -7.579201437e-01 4.28 -7.303982990e-01 -7.303982990e-01 4.30 -7.037115935e-01 -7.037115935e-01 4.32 -6.778974095e-01 -6.778974095e-01 4.34 -6.529805604e-01 -6.529805604e-01 4.36 -6.289722200e-01 -6.289722200e-01 4.38 -6.058697372e-01 -6.058697372e-01 4.40 -5.836572340e-01 -5.836572340e-01 4.42 -5.623068302e-01 -5.623068302e-01 4.44 -5.417803151e-01 -5.417803151e-01 4.46 -5.220310862e-01 -5.220310862e-01 4.48 -5.030061942e-01 -5.030061942e-01 4.50 -4.846483630e-01 -4.846483630e-01 4.52 -4.668978903e-01 -4.668978903e-01 4.54 -4.496943722e-01 -4.496943722e-01 4.56 -4.329782298e-01 -4.329782298e-01 4.58 -4.166920460e-01 -4.166920460e-01 4.60 -4.007817379e-01 -4.007817379e-01 4.62 -3.851976018e-01 -3.851976018e-01 4.64 -3.698952660e-01 -3.698952660e-01 4.66 -3.548365767e-01 -3.548365767e-01 4.68 -3.399904270e-01 -3.399904270e-01 4.70 -3.253335149e-01 -3.253335149e-01 4.72 -3.108509966e-01 -3.108509966e-01 4.74 -2.965369756e-01 -2.965369756e-01 4.76 -2.823947584e-01 -2.823947584e-01 4.78 -2.684367989e-01 -2.684367989e-01 4.80 -2.546835053e-01 -2.546835053e-01 4.82 -2.411655433e-01 -2.411655433e-01 4.84 -2.279176170e-01 -2.279176170e-01 4.86 -2.149802379e-01 -2.149802379e-01 4.88 -2.023968518e-01 -2.023968518e-01 4.90 -1.902116958e-01 -1.902116958e-01 4.92 -1.784676326e-01 -1.784676326e-01 4.94 -1.672041194e-01 -1.672041194e-01 4.96 -1.564554492e-01 -1.564554492e-01 4.98 -1.462493675e-01 -1.462493675e-01 5.00 -1.366061276e-01 -1.366061276e-01 5.02 -1.275380016e-01 -1.275380016e-01 5.04 -1.190492212e-01 -1.190492212e-01 5.06 -1.111362993e-01 -1.111362993e-01 5.08 -1.037886666e-01 -1.037886666e-01 5.10 -9.698953789e-02 -9.698953789e-02 5.12 -9.071692709e-02 -9.071692709e-02 5.14 -8.494473302e-02 -8.494473302e-02 5.16 -7.964383699e-02 -7.964383699e-02 5.18 -7.478315195e-02 -7.478315195e-02 5.20 -7.033054229e-02 -7.033054229e-02 5.22 -6.625314884e-02 -6.625314884e-02 5.24 -6.251944869e-02 -6.251944869e-02 5.26 -5.909913608e-02 -5.909913608e-02 5.28 -5.596322118e-02 -5.596322118e-02 5.30 -5.308437448e-02 -5.308437448e-02 5.32 -5.043714340e-02 -5.043714340e-02 5.34 -4.799806021e-02 -4.799806021e-02 5.36 -4.574587922e-02 -4.574587922e-02 5.38 -4.366143542e-02 -4.366143542e-02 5.40 -4.172678465e-02 -4.172678465e-02 5.42 -3.992584717e-02 -3.992584717e-02 5.44 -3.824427135e-02 -3.824427135e-02 5.46 -3.666926339e-02 -3.666926339e-02 5.48 -3.518942469e-02 -3.518942469e-02 5.50 -3.379460019e-02 -3.379460019e-02 5.52 -3.247573921e-02 -3.247573921e-02 5.54 -3.122476946e-02 -3.122476946e-02 5.56 -3.003448409e-02 -3.003448409e-02 5.58 -2.889844135e-02 -2.889844135e-02 5.60 -2.781087591e-02 -2.781087591e-02 5.62 -2.676662135e-02 -2.676662135e-02 5.64 -2.576104254e-02 -2.576104254e-02 5.66 -2.478997757e-02 -2.478997757e-02 5.68 -2.384968852e-02 -2.384968852e-02 5.70 -2.293682038e-02 -2.293682038e-02 5.72 -2.204836749e-02 -2.204836749e-02 5.74 -2.118164715e-02 -2.118164715e-02 5.76 -2.033427982e-02 -2.033427982e-02 5.78 -1.950417528e-02 -1.950417528e-02 5.80 -1.868952422e-02 -1.868952422e-02 5.82 -1.788879446e-02 -1.788879446e-02 5.84 -1.710073094e-02 -1.710073094e-02 5.86 -1.632435843e-02 -1.632435843e-02 5.88 -1.555898572e-02 -1.555898572e-02 5.90 -1.480420986e-02 -1.480420986e-02 5.92 -1.405991900e-02 -1.405991900e-02 5.94 -1.332628121e-02 -1.332628121e-02 5.96 -1.260367646e-02 -1.260367646e-02 5.98 -1.189284480e-02 -1.189284480e-02 6.00 -1.119480255e-02 -1.119480255e-02