# 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 = AuMo2Ni # 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 2.688674231e+02 2.688674231e+02 1.30 2.486369643e+02 2.486369643e+02 1.32 2.299294265e+02 2.299294265e+02 1.34 2.126158028e+02 2.126158028e+02 1.36 1.965807781e+02 1.965807781e+02 1.38 1.817220386e+02 1.817220386e+02 1.40 1.679482692e+02 1.679482692e+02 1.42 1.551763849e+02 1.551763849e+02 1.44 1.433294064e+02 1.433294064e+02 1.46 1.323356205e+02 1.323356205e+02 1.48 1.221287217e+02 1.221287217e+02 1.50 1.126482665e+02 1.126482665e+02 1.52 1.038398682e+02 1.038398682e+02 1.54 9.565483567e+01 9.565483567e+01 1.56 8.804924985e+01 8.804924985e+01 1.58 8.098276877e+01 8.098276877e+01 1.60 7.441759270e+01 7.441759270e+01 1.62 6.831784752e+01 6.831784752e+01 1.64 6.264934580e+01 6.264934580e+01 1.66 5.737958147e+01 5.737958147e+01 1.68 5.247790624e+01 5.247790624e+01 1.70 4.791588134e+01 4.791588134e+01 1.72 4.366769961e+01 4.366769961e+01 1.74 3.971046949e+01 3.971046949e+01 1.76 3.602424686e+01 3.602424686e+01 1.78 3.259742679e+01 3.259742679e+01 1.80 2.942890824e+01 2.942890824e+01 1.82 2.650423927e+01 2.650423927e+01 1.84 2.380734414e+01 2.380734414e+01 1.86 2.132279377e+01 2.132279377e+01 1.88 1.903578287e+01 1.903578287e+01 1.90 1.693214789e+01 1.693214789e+01 1.92 1.499839718e+01 1.499839718e+01 1.94 1.322174377e+01 1.322174377e+01 1.96 1.159013883e+01 1.159013883e+01 1.98 1.009229885e+01 1.009229885e+01 2.00 8.717709391e+00 8.717709391e+00 2.02 7.456590828e+00 7.456590828e+00 2.04 6.299827805e+00 6.299827805e+00 2.06 5.238883103e+00 5.238883103e+00 2.08 4.265726588e+00 4.265726588e+00 2.10 3.372805715e+00 3.372805715e+00 2.12 2.553066952e+00 2.553066952e+00 2.14 1.800014981e+00 1.800014981e+00 2.16 1.107779986e+00 1.107779986e+00 2.18 4.711605401e-01 4.711605401e-01 2.20 -1.143794639e-01 -1.143794639e-01 2.22 -6.527639414e-01 -6.527639414e-01 2.24 -1.147396753e+00 -1.147396753e+00 2.26 -1.601273749e+00 -1.601273749e+00 2.28 -2.017094528e+00 -2.017094528e+00 2.30 -2.397356990e+00 -2.397356990e+00 2.32 -2.744423128e+00 -2.744423128e+00 2.34 -3.060550866e+00 -3.060550866e+00 2.36 -3.347894369e+00 -3.347894369e+00 2.38 -3.608483297e+00 -3.608483297e+00 2.40 -3.844196985e+00 -3.844196985e+00 2.42 -4.056748357e+00 -4.056748357e+00 2.44 -4.247684503e+00 -4.247684503e+00 2.46 -4.418401371e+00 -4.418401371e+00 2.48 -4.570164841e+00 -4.570164841e+00 2.50 -4.704065747e+00 -4.704065747e+00 2.52 -4.820935541e+00 -4.820935541e+00 2.54 -4.921998738e+00 -4.921998738e+00 2.56 -5.008425010e+00 -5.008425010e+00 2.58 -5.081275424e+00 -5.081275424e+00 2.60 -5.141516240e+00 -5.141516240e+00 2.62 -5.190029273e+00 -5.190029273e+00 2.64 -5.227620343e+00 -5.227620343e+00 2.66 -5.254959121e+00 -5.254959121e+00 2.68 -5.272255979e+00 -5.272255979e+00 2.70 -5.279610059e+00 -5.279610059e+00 2.72 -5.277189202e+00 -5.277189202e+00 2.74 -5.265223941e+00 -5.265223941e+00 2.76 -5.243997793e+00 -5.243997793e+00 2.78 -5.213836616e+00 -5.213836616e+00 2.80 -5.175099185e+00 -5.175099185e+00 2.82 -5.128188821e+00 -5.128188821e+00 2.84 -5.073567070e+00 -5.073567070e+00 2.86 -5.011522271e+00 -5.011522271e+00 2.88 -4.942363667e+00 -4.942363667e+00 2.90 -4.866495529e+00 -4.866495529e+00 2.92 -4.784417985e+00 -4.784417985e+00 2.94 -4.696722517e+00 -4.696722517e+00 2.96 -4.604080233e+00 -4.604080233e+00 2.98 -4.507221829e+00 -4.507221829e+00 3.00 -4.406905788e+00 -4.406905788e+00 3.02 -4.303883788e+00 -4.303883788e+00 3.04 -4.198871961e+00 -4.198871961e+00 3.06 -4.092518280e+00 -4.092518280e+00 3.08 -3.985375319e+00 -3.985375319e+00 3.10 -3.877881914e+00 -3.877881914e+00 3.12 -3.770355212e+00 -3.770355212e+00 3.14 -3.662993051e+00 -3.662993051e+00 3.16 -3.555885321e+00 -3.555885321e+00 3.18 -3.449032086e+00 -3.449032086e+00 3.20 -3.342365994e+00 -3.342365994e+00 3.22 -3.235776686e+00 -3.235776686e+00 3.24 -3.129135411e+00 -3.129135411e+00 3.26 -3.022318636e+00 -3.022318636e+00 3.28 -2.915229835e+00 -2.915229835e+00 3.30 -2.807818913e+00 -2.807818913e+00 3.32 -2.700098683e+00 -2.700098683e+00 3.34 -2.592157698e+00 -2.592157698e+00 3.36 -2.484168571e+00 -2.484168571e+00 3.38 -2.376390852e+00 -2.376390852e+00 3.40 -2.269167656e+00 -2.269167656e+00 3.42 -2.162915631e+00 -2.162915631e+00 3.44 -2.058108483e+00 -2.058108483e+00 3.46 -1.955255053e+00 -1.955255053e+00 3.48 -1.854873704e+00 -1.854873704e+00 3.50 -1.757465375e+00 -1.757465375e+00 3.52 -1.663487890e+00 -1.663487890e+00 3.54 -1.573333970e+00 -1.573333970e+00 3.56 -1.487314821e+00 -1.487314821e+00 3.58 -1.405650406e+00 -1.405650406e+00 3.60 -1.328466587e+00 -1.328466587e+00 3.62 -1.255798535e+00 -1.255798535e+00 3.64 -1.187599228e+00 -1.187599228e+00 3.66 -1.123751524e+00 -1.123751524e+00 3.68 -1.064082254e+00 -1.064082254e+00 3.70 -1.008376949e+00 -1.008376949e+00 3.72 -9.563940426e-01 -9.563940426e-01 3.74 -9.078777593e-01 -9.078777593e-01 3.76 -8.625691593e-01 -8.625691593e-01 3.78 -8.202150674e-01 -8.202150674e-01 3.80 -7.805747957e-01 -7.805747957e-01 3.82 -7.434246883e-01 -7.434246883e-01 3.84 -7.085606176e-01 -7.085606176e-01 3.86 -6.757986395e-01 -6.757986395e-01 3.88 -6.449741073e-01 -6.449741073e-01 3.90 -6.159396277e-01 -6.159396277e-01 3.92 -5.885623151e-01 -5.885623151e-01 3.94 -5.627208194e-01 -5.627208194e-01 3.96 -5.383025554e-01 -5.383025554e-01 3.98 -5.152014623e-01 -5.152014623e-01 4.00 -4.933164581e-01 -4.933164581e-01 4.02 -4.725506087e-01 -4.725506087e-01 4.04 -4.528109023e-01 -4.528109023e-01 4.06 -4.340084560e-01 -4.340084560e-01 4.08 -4.160589653e-01 -4.160589653e-01 4.10 -3.988832343e-01 -3.988832343e-01 4.12 -3.824076869e-01 -3.824076869e-01 4.14 -3.665647366e-01 -3.665647366e-01 4.16 -3.512929085e-01 -3.512929085e-01 4.18 -3.365377282e-01 -3.365377282e-01 4.20 -3.222513166e-01 -3.222513166e-01 4.22 -3.083923562e-01 -3.083923562e-01 4.24 -2.949261029e-01 -2.949261029e-01 4.26 -2.818243058e-01 -2.818243058e-01 4.28 -2.690650472e-01 -2.690650472e-01 4.30 -2.566325101e-01 -2.566325101e-01 4.32 -2.445166789e-01 -2.445166789e-01 4.34 -2.327129805e-01 -2.327129805e-01 4.36 -2.212218650e-01 -2.212218650e-01 4.38 -2.100483184e-01 -2.100483184e-01 4.40 -1.992012815e-01 -1.992012815e-01 4.42 -1.886929407e-01 -1.886929407e-01 4.44 -1.785378549e-01 -1.785378549e-01 4.46 -1.687518930e-01 -1.687518930e-01 4.48 -1.593509025e-01 -1.593509025e-01 4.50 -1.503493882e-01 -1.503493882e-01 4.52 -1.417594852e-01 -1.417594852e-01 4.54 -1.335893074e-01 -1.335893074e-01 4.56 -1.258419396e-01 -1.258419396e-01 4.58 -1.185148144e-01 -1.185148144e-01 4.60 -1.115995198e-01 -1.115995198e-01 4.62 -1.050820484e-01 -1.050820484e-01 4.64 -9.894343624e-02 -9.894343624e-02 4.66 -9.316070029e-02 -9.316070029e-02 4.68 -8.770796017e-02 -8.770796017e-02 4.70 -8.255762919e-02 -8.255762919e-02 4.72 -7.768157851e-02 -7.768157851e-02 4.74 -7.305220217e-02 -7.305220217e-02 4.76 -6.864333878e-02 -6.864333878e-02 4.78 -6.443102848e-02 -6.443102848e-02 4.80 -6.039410007e-02 -6.039410007e-02 4.82 -5.651459614e-02 -5.651459614e-02 4.84 -5.277803630e-02 -5.277803630e-02 4.86 -4.917353569e-02 -4.917353569e-02 4.88 -4.569378001e-02 -4.569378001e-02 4.90 -4.233486010e-02 -4.233486010e-02 4.92 -3.909596650e-02 -3.909596650e-02 4.94 -3.597895918e-02 -3.597895918e-02 4.96 -3.298782579e-02 -3.298782579e-02 4.98 -3.012804972e-02 -3.012804972e-02 5.00 -2.740592382e-02 -2.740592382e-02 5.02 -2.482786617e-02 -2.482786617e-02 5.04 -2.239976600e-02 -2.239976600e-02 5.06 -2.012641154e-02 -2.012641154e-02 5.08 -1.801103775e-02 -1.801103775e-02 5.10 -1.605486841e-02 -1.605486841e-02 5.12 -1.425703162e-02 -1.425703162e-02 5.14 -1.261509951e-02 -1.261509951e-02 5.16 -1.112469383e-02 -1.112469383e-02 5.18 -9.779710773e-03 -9.779710773e-03 5.20 -8.572636873e-03 -8.572636873e-03 5.22 -7.494897407e-03 -7.494897407e-03 5.24 -6.537206936e-03 -6.537206936e-03 5.26 -5.689898178e-03 -5.689898178e-03 5.28 -4.943212655e-03 -4.943212655e-03 5.30 -4.287543630e-03 -4.287543630e-03 5.32 -3.713627914e-03 -3.713627914e-03 5.34 -3.212687775e-03 -3.212687775e-03 5.36 -2.776527339e-03 -2.776527339e-03 5.38 -2.397589728e-03 -2.397589728e-03 5.40 -2.068981954e-03 -2.068981954e-03 5.42 -1.784474524e-03 -1.784474524e-03 5.44 -1.538482213e-03 -1.538482213e-03 5.46 -1.326031616e-03 -1.326031616e-03 5.48 -1.142720136e-03 -1.142720136e-03 5.50 -9.846701568e-04 -9.846701568e-04 5.52 -8.484812385e-04 -8.484812385e-04 5.54 -7.311824666e-04 -7.311824666e-04 5.56 -6.301864214e-04 -6.301864214e-04 5.58 -5.432457493e-04 -5.432457493e-04 5.60 -4.684129243e-04 -4.684129243e-04 5.62 -4.040034906e-04 -4.040034906e-04 5.64 -3.485628695e-04 -3.485628695e-04 5.66 -3.008366610e-04 -3.008366610e-04 5.68 -2.597442765e-04 -2.597442765e-04 5.70 -2.243556756e-04 -2.243556756e-04 5.72 -1.938709499e-04 -1.938709499e-04 5.74 -1.676024849e-04 -1.676024849e-04 5.76 -1.449594301e-04 -1.449594301e-04 5.78 -1.254342214e-04 -1.254342214e-04 5.80 -1.085909140e-04 -1.085909140e-04 5.82 -9.405510452e-05 -9.405510452e-05 5.84 -8.150524093e-05 -8.150524093e-05 5.86 -7.066514054e-05 -7.066514054e-05 5.88 -6.129755534e-05 -6.129755534e-05 5.90 -5.319864377e-05 -5.319864377e-05 5.92 -4.619322475e-05 -4.619322475e-05 5.94 -4.013070564e-05 -4.013070564e-05 5.96 -3.488159010e-05 -3.488159010e-05 5.98 -3.033448420e-05 -3.033448420e-05 6.00 -2.639353015e-05 -2.639353015e-05