# 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 = MoPb2Zr # 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 4.723565276e+02 4.723565276e+02 1.30 4.418993471e+02 4.418993471e+02 1.32 4.135297839e+02 4.135297839e+02 1.34 3.870848776e+02 3.870848776e+02 1.36 3.624189957e+02 3.624189957e+02 1.38 3.394014901e+02 3.394014901e+02 1.40 3.179137370e+02 3.179137370e+02 1.42 2.978465489e+02 2.978465489e+02 1.44 2.790983423e+02 2.790983423e+02 1.46 2.615737198e+02 2.615737198e+02 1.48 2.451827284e+02 2.451827284e+02 1.50 2.298413023e+02 2.298413023e+02 1.52 2.154723330e+02 2.154723330e+02 1.54 2.020061465e+02 2.020061465e+02 1.56 1.893799436e+02 1.893799436e+02 1.58 1.775364926e+02 1.775364926e+02 1.60 1.664228746e+02 1.664228746e+02 1.62 1.559897057e+02 1.559897057e+02 1.64 1.461908829e+02 1.461908829e+02 1.66 1.369835594e+02 1.369835594e+02 1.68 1.283281906e+02 1.283281906e+02 1.70 1.201885011e+02 1.201885011e+02 1.72 1.125313784e+02 1.125313784e+02 1.74 1.053267508e+02 1.053267508e+02 1.76 9.854748958e+01 9.854748958e+01 1.78 9.216920837e+01 9.216920837e+01 1.80 8.616985333e+01 8.616985333e+01 1.82 8.052906889e+01 8.052906889e+01 1.84 7.522761008e+01 7.522761008e+01 1.86 7.024724661e+01 7.024724661e+01 1.88 6.557042998e+01 6.557042998e+01 1.90 6.118069882e+01 6.118069882e+01 1.92 5.706803212e+01 5.706803212e+01 1.94 5.321832592e+01 5.321832592e+01 1.96 4.961316245e+01 4.961316245e+01 1.98 4.623528180e+01 4.623528180e+01 2.00 4.306869339e+01 4.306869339e+01 2.02 4.009867078e+01 4.009867078e+01 2.04 3.731168022e+01 3.731168022e+01 2.06 3.469529242e+01 3.469529242e+01 2.08 3.223810130e+01 3.223810130e+01 2.10 2.992966028e+01 2.992966028e+01 2.12 2.776039849e+01 2.776039849e+01 2.14 2.572153613e+01 2.572153613e+01 2.16 2.380498765e+01 2.380498765e+01 2.18 2.200327449e+01 2.200327449e+01 2.20 2.030945995e+01 2.030945995e+01 2.22 1.871709561e+01 1.871709561e+01 2.24 1.722017978e+01 1.722017978e+01 2.26 1.581312361e+01 1.581312361e+01 2.28 1.449071539e+01 1.449071539e+01 2.30 1.324809854e+01 1.324809854e+01 2.32 1.208073392e+01 1.208073392e+01 2.34 1.098435540e+01 1.098435540e+01 2.36 9.954933139e+00 9.954933139e+00 2.38 8.988635310e+00 8.988635310e+00 2.40 8.081801202e+00 8.081801202e+00 2.42 7.230925987e+00 7.230925987e+00 2.44 6.432666471e+00 6.432666471e+00 2.46 5.683857163e+00 5.683857163e+00 2.48 4.981537585e+00 4.981537585e+00 2.50 4.322976000e+00 4.322976000e+00 2.52 3.705678571e+00 3.705678571e+00 2.54 3.127378693e+00 3.127378693e+00 2.56 2.586010241e+00 2.586010241e+00 2.58 2.079673908e+00 2.079673908e+00 2.60 1.606605004e+00 1.606605004e+00 2.62 1.165146944e+00 1.165146944e+00 2.64 7.537253068e-01 7.537253068e-01 2.66 3.707764586e-01 3.707764586e-01 2.68 1.488009289e-02 1.488009289e-02 2.70 -3.153107285e-01 -3.153107285e-01 2.72 -6.210900636e-01 -6.210900636e-01 2.74 -9.036823295e-01 -9.036823295e-01 2.76 -1.164448609e+00 -1.164448609e+00 2.78 -1.404715861e+00 -1.404715861e+00 2.80 -1.625753988e+00 -1.625753988e+00 2.82 -1.828640795e+00 -1.828640795e+00 2.84 -2.014294952e+00 -2.014294952e+00 2.86 -2.183601236e+00 -2.183601236e+00 2.88 -2.337416227e+00 -2.337416227e+00 2.90 -2.476570370e+00 -2.476570370e+00 2.92 -2.601803574e+00 -2.601803574e+00 2.94 -2.713764755e+00 -2.713764755e+00 2.96 -2.813116851e+00 -2.813116851e+00 2.98 -2.900542163e+00 -2.900542163e+00 3.00 -2.976737511e+00 -2.976737511e+00 3.02 -3.042406902e+00 -3.042406902e+00 3.04 -3.098249945e+00 -3.098249945e+00 3.06 -3.144963444e+00 -3.144963444e+00 3.08 -3.183215587e+00 -3.183215587e+00 3.10 -3.213652044e+00 -3.213652044e+00 3.12 -3.236886525e+00 -3.236886525e+00 3.14 -3.253506520e+00 -3.253506520e+00 3.16 -3.264058696e+00 -3.264058696e+00 3.18 -3.269055920e+00 -3.269055920e+00 3.20 -3.268971891e+00 -3.268971891e+00 3.22 -3.264237782e+00 -3.264237782e+00 3.24 -3.255239634e+00 -3.255239634e+00 3.26 -3.242317826e+00 -3.242317826e+00 3.28 -3.225769440e+00 -3.225769440e+00 3.30 -3.205853402e+00 -3.205853402e+00 3.32 -3.182797522e+00 -3.182797522e+00 3.34 -3.156806226e+00 -3.156806226e+00 3.36 -3.128067999e+00 -3.128067999e+00 3.38 -3.096761978e+00 -3.096761978e+00 3.40 -3.063062380e+00 -3.063062380e+00 3.42 -3.027147945e+00 -3.027147945e+00 3.44 -2.989197512e+00 -2.989197512e+00 3.46 -2.949397514e+00 -2.949397514e+00 3.48 -2.907941507e+00 -2.907941507e+00 3.50 -2.865108885e+00 -2.865108885e+00 3.52 -2.821063441e+00 -2.821063441e+00 3.54 -2.775901357e+00 -2.775901357e+00 3.56 -2.729746629e+00 -2.729746629e+00 3.58 -2.682741039e+00 -2.682741039e+00 3.60 -2.635035078e+00 -2.635035078e+00 3.62 -2.586780279e+00 -2.586780279e+00 3.64 -2.538116834e+00 -2.538116834e+00 3.66 -2.489155249e+00 -2.489155249e+00 3.68 -2.440000223e+00 -2.440000223e+00 3.70 -2.390754319e+00 -2.390754319e+00 3.72 -2.341516405e+00 -2.341516405e+00 3.74 -2.292381186e+00 -2.292381186e+00 3.76 -2.243439413e+00 -2.243439413e+00 3.78 -2.194778411e+00 -2.194778411e+00 3.80 -2.146482663e+00 -2.146482663e+00 3.82 -2.098634160e+00 -2.098634160e+00 3.84 -2.051312318e+00 -2.051312318e+00 3.86 -2.004593252e+00 -2.004593252e+00 3.88 -1.958548378e+00 -1.958548378e+00 3.90 -1.913242443e+00 -1.913242443e+00 3.92 -1.868729036e+00 -1.868729036e+00 3.94 -1.825058052e+00 -1.825058052e+00 3.96 -1.782259295e+00 -1.782259295e+00 3.98 -1.740352585e+00 -1.740352585e+00 4.00 -1.699345529e+00 -1.699345529e+00 4.02 -1.659234986e+00 -1.659234986e+00 4.04 -1.620009106e+00 -1.620009106e+00 4.06 -1.581649594e+00 -1.581649594e+00 4.08 -1.544133875e+00 -1.544133875e+00 4.10 -1.507430558e+00 -1.507430558e+00 4.12 -1.471527622e+00 -1.471527622e+00 4.14 -1.436391374e+00 -1.436391374e+00 4.16 -1.401996671e+00 -1.401996671e+00 4.18 -1.368319486e+00 -1.368319486e+00 4.20 -1.335337097e+00 -1.335337097e+00 4.22 -1.303028170e+00 -1.303028170e+00 4.24 -1.271372766e+00 -1.271372766e+00 4.26 -1.240352325e+00 -1.240352325e+00 4.28 -1.209949652e+00 -1.209949652e+00 4.30 -1.180148901e+00 -1.180148901e+00 4.32 -1.150935572e+00 -1.150935572e+00 4.34 -1.122296501e+00 -1.122296501e+00 4.36 -1.094219847e+00 -1.094219847e+00 4.38 -1.066695063e+00 -1.066695063e+00 4.40 -1.039712836e+00 -1.039712836e+00 4.42 -1.013265006e+00 -1.013265006e+00 4.44 -9.873444547e-01 -9.873444547e-01 4.46 -9.619449676e-01 -9.619449676e-01 4.48 -9.370610770e-01 -9.370610770e-01 4.50 -9.126878902e-01 -9.126878902e-01 4.52 -8.888209134e-01 -8.888209134e-01 4.54 -8.654558788e-01 -8.654558788e-01 4.56 -8.425885809e-01 -8.425885809e-01 4.58 -8.202147313e-01 -8.202147313e-01 4.60 -7.983298332e-01 -7.983298332e-01 4.62 -7.769290810e-01 -7.769290810e-01 4.64 -7.560072838e-01 -7.560072838e-01 4.66 -7.355588149e-01 -7.355588149e-01 4.68 -7.155775821e-01 -7.155775821e-01 4.70 -6.960570198e-01 -6.960570198e-01 4.72 -6.769900961e-01 -6.769900961e-01 4.74 -6.583693333e-01 -6.583693333e-01 4.76 -6.401868368e-01 -6.401868368e-01 4.78 -6.224343302e-01 -6.224343302e-01 4.80 -6.050987687e-01 -6.050987687e-01 4.82 -5.881808041e-01 -5.881808041e-01 4.84 -5.716659592e-01 -5.716659592e-01 4.86 -5.555448237e-01 -5.555448237e-01 4.88 -5.398077846e-01 -5.398077846e-01 4.90 -5.244450614e-01 -5.244450614e-01 4.92 -5.094467440e-01 -5.094467440e-01 4.94 -4.948028333e-01 -4.948028333e-01 4.96 -4.805032873e-01 -4.805032873e-01 4.98 -4.665380747e-01 -4.665380747e-01 5.00 -4.528972366e-01 -4.528972366e-01 5.02 -4.395709578e-01 -4.395709578e-01 5.04 -4.265496476e-01 -4.265496476e-01 5.06 -4.138240284e-01 -4.138240284e-01 5.08 -4.013852319e-01 -4.013852319e-01 5.10 -3.892248974e-01 -3.892248974e-01 5.12 -3.773352705e-01 -3.773352705e-01 5.14 -3.657092941e-01 -3.657092941e-01 5.16 -3.543406888e-01 -3.543406888e-01 5.18 -3.432240146e-01 -3.432240146e-01 5.20 -3.323547092e-01 -3.323547092e-01 5.22 -3.217291000e-01 -3.217291000e-01 5.24 -3.113443871e-01 -3.113443871e-01 5.26 -3.011985992e-01 -3.011985992e-01 5.28 -2.912905249e-01 -2.912905249e-01 5.30 -2.816196268e-01 -2.816196268e-01 5.32 -2.721859437e-01 -2.721859437e-01 5.34 -2.629899874e-01 -2.629899874e-01 5.36 -2.540326365e-01 -2.540326365e-01 5.38 -2.453150299e-01 -2.453150299e-01 5.40 -2.368384533e-01 -2.368384533e-01 5.42 -2.286042146e-01 -2.286042146e-01 5.44 -2.206135003e-01 -2.206135003e-01 5.46 -2.128672089e-01 -2.128672089e-01 5.48 -2.053657593e-01 -2.053657593e-01 5.50 -1.981088837e-01 -1.981088837e-01 5.52 -1.910954159e-01 -1.910954159e-01 5.54 -1.843230946e-01 -1.843230946e-01 5.56 -1.777884031e-01 -1.777884031e-01 5.58 -1.714864639e-01 -1.714864639e-01 5.60 -1.654110012e-01 -1.654110012e-01 5.62 -1.595543794e-01 -1.595543794e-01 5.64 -1.539077114e-01 -1.539077114e-01 5.66 -1.484610299e-01 -1.484610299e-01 5.68 -1.432035025e-01 -1.432035025e-01 5.70 -1.381236749e-01 -1.381236749e-01 5.72 -1.332097233e-01 -1.332097233e-01 5.74 -1.284496998e-01 -1.284496998e-01 5.76 -1.238317616e-01 -1.238317616e-01 5.78 -1.193443735e-01 -1.193443735e-01 5.80 -1.149764836e-01 -1.149764836e-01 5.82 -1.107176686e-01 -1.107176686e-01 5.84 -1.065582537e-01 -1.065582537e-01 5.86 -1.024894070e-01 -1.024894070e-01 5.88 -9.850321189e-02 -9.850321189e-02 5.90 -9.459272216e-02 -9.459272216e-02 5.92 -9.075199966e-02 -9.075199966e-02 5.94 -8.697613715e-02 -8.697613715e-02 5.96 -8.326126663e-02 -8.326126663e-02 5.98 -7.960455201e-02 -7.960455201e-02 6.00 -7.600416512e-02 -7.600416512e-02