# 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 = Mg2NiPb # 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 3.150181355e+02 3.150181355e+02 1.30 2.922774387e+02 2.922774387e+02 1.32 2.712287791e+02 2.712287791e+02 1.34 2.517350747e+02 2.517350747e+02 1.36 2.336713713e+02 2.336713713e+02 1.38 2.169245019e+02 2.169245019e+02 1.40 2.013920982e+02 2.013920982e+02 1.42 1.869812234e+02 1.869812234e+02 1.44 1.736069164e+02 1.736069164e+02 1.46 1.611907749e+02 1.611907749e+02 1.48 1.496599244e+02 1.496599244e+02 1.50 1.389466405e+02 1.389466405e+02 1.52 1.289884978e+02 1.289884978e+02 1.54 1.197284985e+02 1.197284985e+02 1.56 1.111147582e+02 1.111147582e+02 1.58 1.030997959e+02 1.030997959e+02 1.60 9.563983637e+01 9.563983637e+01 1.62 8.869873645e+01 8.869873645e+01 1.64 8.224319659e+01 8.224319659e+01 1.66 7.623826926e+01 7.623826926e+01 1.68 7.065217969e+01 7.065217969e+01 1.70 6.545579790e+01 6.545579790e+01 1.72 6.062222840e+01 6.062222840e+01 1.74 5.612641771e+01 5.612641771e+01 1.76 5.194481631e+01 5.194481631e+01 1.78 4.805517009e+01 4.805517009e+01 1.80 4.443649725e+01 4.443649725e+01 1.82 4.106923616e+01 4.106923616e+01 1.84 3.793539167e+01 3.793539167e+01 1.86 3.501855290e+01 3.501855290e+01 1.88 3.230374579e+01 3.230374579e+01 1.90 2.977719384e+01 2.977719384e+01 1.92 2.742609392e+01 2.742609392e+01 1.94 2.523846772e+01 2.523846772e+01 1.96 2.320308264e+01 2.320308264e+01 1.98 2.130942804e+01 2.130942804e+01 2.00 1.954770264e+01 1.954770264e+01 2.02 1.790879264e+01 1.790879264e+01 2.04 1.638423902e+01 1.638423902e+01 2.06 1.496620373e+01 1.496620373e+01 2.08 1.364743671e+01 1.364743671e+01 2.10 1.242124556e+01 1.242124556e+01 2.12 1.128145833e+01 1.128145833e+01 2.14 1.022237680e+01 1.022237680e+01 2.16 9.238727400e+00 9.238727400e+00 2.18 8.325610126e+00 8.325610126e+00 2.20 7.478450663e+00 7.478450663e+00 2.22 6.692956166e+00 6.692956166e+00 2.24 5.965078299e+00 5.965078299e+00 2.26 5.290983791e+00 5.290983791e+00 2.28 4.667026030e+00 4.667026030e+00 2.30 4.089732351e+00 4.089732351e+00 2.32 3.555782205e+00 3.555782205e+00 2.34 3.062014798e+00 3.062014798e+00 2.36 2.605437263e+00 2.605437263e+00 2.38 2.183250743e+00 2.183250743e+00 2.40 1.792875090e+00 1.792875090e+00 2.42 1.431960941e+00 1.431960941e+00 2.44 1.098386065e+00 1.098386065e+00 2.46 7.902380729e-01 7.902380729e-01 2.48 5.057859802e-01 5.057859802e-01 2.50 2.434538823e-01 2.434538823e-01 2.52 1.797630989e-03 1.797630989e-03 2.54 -2.205151053e-01 -2.205151053e-01 2.56 -4.247213558e-01 -4.247213558e-01 2.58 -6.119741367e-01 -6.119741367e-01 2.60 -7.832829277e-01 -7.832829277e-01 2.62 -9.395259902e-01 -9.395259902e-01 2.64 -1.081557426e+00 -1.081557426e+00 2.66 -1.210210893e+00 -1.210210893e+00 2.68 -1.326306506e+00 -1.326306506e+00 2.70 -1.430652134e+00 -1.430652134e+00 2.72 -1.524043788e+00 -1.524043788e+00 2.74 -1.607262776e+00 -1.607262776e+00 2.76 -1.681069035e+00 -1.681069035e+00 2.78 -1.746190941e+00 -1.746190941e+00 2.80 -1.803316662e+00 -1.803316662e+00 2.82 -1.853082190e+00 -1.853082190e+00 2.84 -1.896068970e+00 -1.896068970e+00 2.86 -1.932803390e+00 -1.932803390e+00 2.88 -1.963760854e+00 -1.963760854e+00 2.90 -1.989372151e+00 -1.989372151e+00 2.92 -2.010030429e+00 -2.010030429e+00 2.94 -2.026097586e+00 -2.026097586e+00 2.96 -2.037909565e+00 -2.037909565e+00 2.98 -2.045781066e+00 -2.045781066e+00 3.00 -2.050040772e+00 -2.050040772e+00 3.02 -2.050955807e+00 -2.050955807e+00 3.04 -2.048754633e+00 -2.048754633e+00 3.06 -2.043664934e+00 -2.043664934e+00 3.08 -2.035907120e+00 -2.035907120e+00 3.10 -2.025698551e+00 -2.025698551e+00 3.12 -2.013251256e+00 -2.013251256e+00 3.14 -1.998774817e+00 -1.998774817e+00 3.16 -1.982466887e+00 -1.982466887e+00 3.18 -1.964510895e+00 -1.964510895e+00 3.20 -1.945100011e+00 -1.945100011e+00 3.22 -1.924423057e+00 -1.924423057e+00 3.24 -1.902609824e+00 -1.902609824e+00 3.26 -1.879786311e+00 -1.879786311e+00 3.28 -1.856074646e+00 -1.856074646e+00 3.30 -1.831591393e+00 -1.831591393e+00 3.32 -1.806446026e+00 -1.806446026e+00 3.34 -1.780739517e+00 -1.780739517e+00 3.36 -1.754562997e+00 -1.754562997e+00 3.38 -1.727982944e+00 -1.727982944e+00 3.40 -1.701019012e+00 -1.701019012e+00 3.42 -1.673686441e+00 -1.673686441e+00 3.44 -1.646001181e+00 -1.646001181e+00 3.46 -1.617980666e+00 -1.617980666e+00 3.48 -1.589643401e+00 -1.589643401e+00 3.50 -1.561009025e+00 -1.561009025e+00 3.52 -1.532098407e+00 -1.532098407e+00 3.54 -1.502933728e+00 -1.502933728e+00 3.56 -1.473538573e+00 -1.473538573e+00 3.58 -1.443938040e+00 -1.443938040e+00 3.60 -1.414158887e+00 -1.414158887e+00 3.62 -1.384229738e+00 -1.384229738e+00 3.64 -1.354181319e+00 -1.354181319e+00 3.66 -1.324046714e+00 -1.324046714e+00 3.68 -1.293861622e+00 -1.293861622e+00 3.70 -1.263664569e+00 -1.263664569e+00 3.72 -1.233497061e+00 -1.233497061e+00 3.74 -1.203403673e+00 -1.203403673e+00 3.76 -1.173432041e+00 -1.173432041e+00 3.78 -1.143632780e+00 -1.143632780e+00 3.80 -1.114059255e+00 -1.114059255e+00 3.82 -1.084767155e+00 -1.084767155e+00 3.84 -1.055813739e+00 -1.055813739e+00 3.86 -1.027256668e+00 -1.027256668e+00 3.88 -9.991523554e-01 -9.991523554e-01 3.90 -9.715539081e-01 -9.715539081e-01 3.92 -9.445083152e-01 -9.445083152e-01 3.94 -9.180565075e-01 -9.180565075e-01 3.96 -8.922280741e-01 -8.922280741e-01 3.98 -8.670427094e-01 -8.670427094e-01 4.00 -8.425093512e-01 -8.425093512e-01 4.02 -8.186267941e-01 -8.186267941e-01 4.04 -7.953849492e-01 -7.953849492e-01 4.06 -7.727665013e-01 -7.727665013e-01 4.08 -7.507487095e-01 -7.507487095e-01 4.10 -7.293034925e-01 -7.293034925e-01 4.12 -7.084058313e-01 -7.084058313e-01 4.14 -6.880241698e-01 -6.880241698e-01 4.16 -6.681289867e-01 -6.681289867e-01 4.18 -6.486914818e-01 -6.486914818e-01 4.20 -6.296840929e-01 -6.296840929e-01 4.22 -6.110808901e-01 -6.110808901e-01 4.24 -5.928579114e-01 -5.928579114e-01 4.26 -5.749934905e-01 -5.749934905e-01 4.28 -5.574686134e-01 -5.574686134e-01 4.30 -5.402673215e-01 -5.402673215e-01 4.32 -5.233771556e-01 -5.233771556e-01 4.34 -5.067896160e-01 -5.067896160e-01 4.36 -4.905005882e-01 -4.905005882e-01 4.38 -4.745106672e-01 -4.745106672e-01 4.40 -4.588253004e-01 -4.588253004e-01 4.42 -4.434546700e-01 -4.434546700e-01 4.44 -4.284132490e-01 -4.284132490e-01 4.46 -4.137190017e-01 -4.137190017e-01 4.48 -3.993922438e-01 -3.993922438e-01 4.50 -3.854542351e-01 -3.854542351e-01 4.52 -3.719256270e-01 -3.719256270e-01 4.54 -3.588249227e-01 -3.588249227e-01 4.56 -3.461671124e-01 -3.461671124e-01 4.58 -3.339626251e-01 -3.339626251e-01 4.60 -3.222166898e-01 -3.222166898e-01 4.62 -3.109291357e-01 -3.109291357e-01 4.64 -3.000946038e-01 -3.000946038e-01 4.66 -2.897030905e-01 -2.897030905e-01 4.68 -2.797407191e-01 -2.797407191e-01 4.70 -2.701906292e-01 -2.701906292e-01 4.72 -2.610338836e-01 -2.610338836e-01 4.74 -2.522503156e-01 -2.522503156e-01 4.76 -2.438192660e-01 -2.438192660e-01 4.78 -2.357201838e-01 -2.357201838e-01 4.80 -2.279319374e-01 -2.279319374e-01 4.82 -2.204379082e-01 -2.204379082e-01 4.84 -2.132187270e-01 -2.132187270e-01 4.86 -2.062575997e-01 -2.062575997e-01 4.88 -1.995389721e-01 -1.995389721e-01 4.90 -1.930485132e-01 -1.930485132e-01 4.92 -1.867730635e-01 -1.867730635e-01 4.94 -1.807005628e-01 -1.807005628e-01 4.96 -1.748199685e-01 -1.748199685e-01 4.98 -1.691211743e-01 -1.691211743e-01 5.00 -1.635949332e-01 -1.635949332e-01 5.02 -1.582327901e-01 -1.582327901e-01 5.04 -1.530270258e-01 -1.530270258e-01 5.06 -1.479706118e-01 -1.479706118e-01 5.08 -1.430571762e-01 -1.430571762e-01 5.10 -1.382809779e-01 -1.382809779e-01 5.12 -1.336368874e-01 -1.336368874e-01 5.14 -1.291203697e-01 -1.291203697e-01 5.16 -1.247274667e-01 -1.247274667e-01 5.18 -1.204547758e-01 -1.204547758e-01 5.20 -1.162994200e-01 -1.162994200e-01 5.22 -1.122590093e-01 -1.122590093e-01 5.24 -1.083315898e-01 -1.083315898e-01 5.26 -1.045155818e-01 -1.045155818e-01 5.28 -1.008097088e-01 -1.008097088e-01 5.30 -9.721291966e-02 -9.721291966e-02 5.32 -9.372430726e-02 -9.372430726e-02 5.34 -9.034302919e-02 -9.034302919e-02 5.36 -8.706823290e-02 -8.706823290e-02 5.38 -8.389898835e-02 -8.389898835e-02 5.40 -8.083422989e-02 -8.083422989e-02 5.42 -7.787270747e-02 -7.787270747e-02 5.44 -7.501294636e-02 -7.501294636e-02 5.46 -7.225321424e-02 -7.225321424e-02 5.48 -6.959149482e-02 -6.959149482e-02 5.50 -6.702546770e-02 -6.702546770e-02 5.52 -6.455249561e-02 -6.455249561e-02 5.54 -6.216962038e-02 -6.216962038e-02 5.56 -5.987356942e-02 -5.987356942e-02 5.58 -5.766077408e-02 -5.766077408e-02 5.60 -5.552740048e-02 -5.552740048e-02 5.62 -5.346939224e-02 -5.346939224e-02 5.64 -5.148252429e-02 -5.148252429e-02 5.66 -4.956245840e-02 -4.956245840e-02 5.68 -4.770480793e-02 -4.770480793e-02 5.70 -4.590520211e-02 -4.590520211e-02 5.72 -4.415934747e-02 -4.415934747e-02 5.74 -4.246308446e-02 -4.246308446e-02 5.76 -4.081239076e-02 -4.081239076e-02 5.78 -3.920349512e-02 -3.920349512e-02 5.80 -3.763292826e-02 -3.763292826e-02 5.82 -3.609755010e-02 -3.609755010e-02 5.84 -3.459455673e-02 -3.459455673e-02 5.86 -3.312150658e-02 -3.312150658e-02 5.88 -3.167634288e-02 -3.167634288e-02 5.90 -3.025741173e-02 -3.025741173e-02 5.92 -2.886347525e-02 -2.886347525e-02 5.94 -2.749368510e-02 -2.749368510e-02 5.96 -2.614729134e-02 -2.614729134e-02 5.98 -2.482430863e-02 -2.482430863e-02 6.00 -2.352526491e-02 -2.352526491e-02