# 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 = Au2MgPb # 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 4.231978968e+02 4.231978968e+02 1.30 3.936335444e+02 3.936335444e+02 1.32 3.662004593e+02 3.662004593e+02 1.34 3.407295405e+02 3.407295405e+02 1.36 3.170671848e+02 3.170671848e+02 1.38 2.950736798e+02 2.950736798e+02 1.40 2.746216866e+02 2.746216866e+02 1.42 2.555947428e+02 2.555947428e+02 1.44 2.378860713e+02 2.378860713e+02 1.46 2.213976134e+02 2.213976134e+02 1.48 2.060391011e+02 2.060391011e+02 1.50 1.917273157e+02 1.917273157e+02 1.52 1.783856218e+02 1.783856218e+02 1.54 1.659434804e+02 1.659434804e+02 1.56 1.543358186e+02 1.543358186e+02 1.58 1.435023668e+02 1.435023668e+02 1.60 1.333872313e+02 1.333872313e+02 1.62 1.239386993e+02 1.239386993e+02 1.64 1.151091227e+02 1.151091227e+02 1.66 1.068547058e+02 1.068547058e+02 1.68 9.913518265e+01 9.913518265e+01 1.70 9.191441398e+01 9.191441398e+01 1.72 8.517795351e+01 8.517795351e+01 1.74 7.890111841e+01 7.890111841e+01 1.76 7.305779439e+01 7.305779439e+01 1.78 6.761860588e+01 6.761860588e+01 1.80 6.255564569e+01 6.255564569e+01 1.82 5.784291922e+01 5.784291922e+01 1.84 5.345616237e+01 5.345616237e+01 1.86 4.937275680e+01 4.937275680e+01 1.88 4.557170648e+01 4.557170648e+01 1.90 4.203359146e+01 4.203359146e+01 1.92 3.874048074e+01 3.874048074e+01 1.94 3.567577458e+01 3.567577458e+01 1.96 3.282403528e+01 3.282403528e+01 1.98 3.017082764e+01 3.017082764e+01 2.00 2.770261513e+01 2.770261513e+01 2.02 2.540671634e+01 2.540671634e+01 2.04 2.327129180e+01 2.327129180e+01 2.06 2.128532789e+01 2.128532789e+01 2.08 1.943860033e+01 1.943860033e+01 2.10 1.772162832e+01 1.772162832e+01 2.12 1.612561709e+01 1.612561709e+01 2.14 1.464240601e+01 1.464240601e+01 2.16 1.326441480e+01 1.326441480e+01 2.18 1.198459145e+01 1.198459145e+01 2.20 1.079636312e+01 1.079636312e+01 2.22 9.693595580e+00 9.693595580e+00 2.24 8.670561495e+00 8.670561495e+00 2.26 7.721916885e+00 7.721916885e+00 2.28 6.842677539e+00 6.842677539e+00 2.30 6.028201078e+00 6.028201078e+00 2.32 5.274160195e+00 5.274160195e+00 2.34 4.576517705e+00 4.576517705e+00 2.36 3.931504350e+00 3.931504350e+00 2.38 3.335599562e+00 3.335599562e+00 2.40 2.785515957e+00 2.785515957e+00 2.42 2.278185099e+00 2.278185099e+00 2.44 1.810742688e+00 1.810742688e+00 2.46 1.380511672e+00 1.380511672e+00 2.48 9.849844026e-01 9.849844026e-01 2.50 6.218053146e-01 6.218053146e-01 2.52 2.887556412e-01 2.887556412e-01 2.54 -1.625903079e-02 -1.625903079e-02 2.56 -2.952181479e-01 -2.952181479e-01 2.58 -5.499923333e-01 -5.499923333e-01 2.60 -7.823459019e-01 -7.823459019e-01 2.62 -9.939352852e-01 -9.939352852e-01 2.64 -1.186306223e+00 -1.186306223e+00 2.66 -1.360887192e+00 -1.360887192e+00 2.68 -1.519009837e+00 -1.519009837e+00 2.70 -1.662006785e+00 -1.662006785e+00 2.72 -1.790859933e+00 -1.790859933e+00 2.74 -1.906434388e+00 -1.906434388e+00 2.76 -2.009545644e+00 -2.009545644e+00 2.78 -2.100964829e+00 -2.100964829e+00 2.80 -2.181424257e+00 -2.181424257e+00 2.82 -2.251618796e+00 -2.251618796e+00 2.84 -2.312209192e+00 -2.312209192e+00 2.86 -2.363817949e+00 -2.363817949e+00 2.88 -2.407025661e+00 -2.407025661e+00 2.90 -2.442385119e+00 -2.442385119e+00 2.92 -2.470425540e+00 -2.470425540e+00 2.94 -2.491655652e+00 -2.491655652e+00 2.96 -2.506567532e+00 -2.506567532e+00 2.98 -2.515640723e+00 -2.515640723e+00 3.00 -2.519345877e+00 -2.519345877e+00 3.02 -2.518146994e+00 -2.518146994e+00 3.04 -2.512500809e+00 -2.512500809e+00 3.06 -2.502856366e+00 -2.502856366e+00 3.08 -2.489645962e+00 -2.489645962e+00 3.10 -2.473281189e+00 -2.473281189e+00 3.12 -2.454144938e+00 -2.454144938e+00 3.14 -2.432589695e+00 -2.432589695e+00 3.16 -2.408930129e+00 -2.408930129e+00 3.18 -2.383474083e+00 -2.383474083e+00 3.20 -2.356468680e+00 -2.356468680e+00 3.22 -2.328097246e+00 -2.328097246e+00 3.24 -2.298524774e+00 -2.298524774e+00 3.26 -2.267899763e+00 -2.267899763e+00 3.28 -2.236355990e+00 -2.236355990e+00 3.30 -2.204014192e+00 -2.204014192e+00 3.32 -2.170983635e+00 -2.170983635e+00 3.34 -2.137375222e+00 -2.137375222e+00 3.36 -2.103271529e+00 -2.103271529e+00 3.38 -2.068728421e+00 -2.068728421e+00 3.40 -2.033801422e+00 -2.033801422e+00 3.42 -1.998546425e+00 -1.998546425e+00 3.44 -1.963018585e+00 -1.963018585e+00 3.46 -1.927273108e+00 -1.927273108e+00 3.48 -1.891364864e+00 -1.891364864e+00 3.50 -1.855347518e+00 -1.855347518e+00 3.52 -1.819259280e+00 -1.819259280e+00 3.54 -1.783123342e+00 -1.783123342e+00 3.56 -1.746966431e+00 -1.746966431e+00 3.58 -1.710818713e+00 -1.710818713e+00 3.60 -1.674712910e+00 -1.674712910e+00 3.62 -1.638683650e+00 -1.638683650e+00 3.64 -1.602766990e+00 -1.602766990e+00 3.66 -1.567000054e+00 -1.567000054e+00 3.68 -1.531420699e+00 -1.531420699e+00 3.70 -1.496067138e+00 -1.496067138e+00 3.72 -1.460977446e+00 -1.460977446e+00 3.74 -1.426188944e+00 -1.426188944e+00 3.76 -1.391737460e+00 -1.391737460e+00 3.78 -1.357656553e+00 -1.357656553e+00 3.80 -1.323976786e+00 -1.323976786e+00 3.82 -1.290725142e+00 -1.290725142e+00 3.84 -1.257924657e+00 -1.257924657e+00 3.86 -1.225594282e+00 -1.225594282e+00 3.88 -1.193748958e+00 -1.193748958e+00 3.90 -1.162399853e+00 -1.162399853e+00 3.92 -1.131554304e+00 -1.131554304e+00 3.94 -1.101217822e+00 -1.101217822e+00 3.96 -1.071391940e+00 -1.071391940e+00 3.98 -1.042076404e+00 -1.042076404e+00 4.00 -1.013269089e+00 -1.013269089e+00 4.02 -9.849663944e-01 -9.849663944e-01 4.04 -9.571636348e-01 -9.571636348e-01 4.06 -9.298554436e-01 -9.298554436e-01 4.08 -9.030361912e-01 -9.030361912e-01 4.10 -8.766991212e-01 -8.766991212e-01 4.12 -8.508422898e-01 -8.508422898e-01 4.14 -8.254604430e-01 -8.254604430e-01 4.16 -8.005515672e-01 -8.005515672e-01 4.18 -7.761157483e-01 -7.761157483e-01 4.20 -7.521555602e-01 -7.521555602e-01 4.22 -7.286763187e-01 -7.286763187e-01 4.24 -7.056861359e-01 -7.056861359e-01 4.26 -6.831957217e-01 -6.831957217e-01 4.28 -6.612178958e-01 -6.612178958e-01 4.30 -6.397668088e-01 -6.397668088e-01 4.32 -6.188569131e-01 -6.188569131e-01 4.34 -5.985017685e-01 -5.985017685e-01 4.36 -5.787128011e-01 -5.787128011e-01 4.38 -5.594981512e-01 -5.594981512e-01 4.40 -5.408617381e-01 -5.408617381e-01 4.42 -5.228026377e-01 -5.228026377e-01 4.44 -5.053148220e-01 -5.053148220e-01 4.46 -4.883872575e-01 -4.883872575e-01 4.48 -4.720043127e-01 -4.720043127e-01 4.50 -4.561463933e-01 -4.561463933e-01 4.52 -4.407907148e-01 -4.407907148e-01 4.54 -4.259121207e-01 -4.259121207e-01 4.56 -4.114838787e-01 -4.114838787e-01 4.58 -3.974784049e-01 -3.974784049e-01 4.60 -3.838678901e-01 -3.838678901e-01 4.62 -3.706248272e-01 -3.706248272e-01 4.64 -3.577224464e-01 -3.577224464e-01 4.66 -3.451350797e-01 -3.451350797e-01 4.68 -3.328384783e-01 -3.328384783e-01 4.70 -3.208101045e-01 -3.208101045e-01 4.72 -3.090294196e-01 -3.090294196e-01 4.74 -2.974781793e-01 -2.974781793e-01 4.76 -2.861407457e-01 -2.861407457e-01 4.78 -2.750044098e-01 -2.750044098e-01 4.80 -2.640587781e-01 -2.640587781e-01 4.82 -2.532999802e-01 -2.532999802e-01 4.84 -2.427248133e-01 -2.427248133e-01 4.86 -2.323351667e-01 -2.323351667e-01 4.88 -2.221369398e-01 -2.221369398e-01 4.90 -2.121399110e-01 -2.121399110e-01 4.92 -2.023574096e-01 -2.023574096e-01 4.94 -1.928057725e-01 -1.928057725e-01 4.96 -1.835035914e-01 -1.835035914e-01 4.98 -1.744707794e-01 -1.744707794e-01 5.00 -1.657275107e-01 -1.657275107e-01 5.02 -1.572931109e-01 -1.572931109e-01 5.04 -1.491849831e-01 -1.491849831e-01 5.06 -1.414176618e-01 -1.414176618e-01 5.08 -1.340020700e-01 -1.340020700e-01 5.10 -1.269450302e-01 -1.269450302e-01 5.12 -1.202490651e-01 -1.202490651e-01 5.14 -1.139124708e-01 -1.139124708e-01 5.16 -1.079296318e-01 -1.079296318e-01 5.18 -1.022915170e-01 -1.022915170e-01 5.20 -9.698629548e-02 -9.698629548e-02 5.22 -9.200000552e-02 -9.200000552e-02 5.24 -8.731721930e-02 -8.731721930e-02 5.26 -8.292163549e-02 -8.292163549e-02 5.28 -7.879637237e-02 -7.879637237e-02 5.30 -7.492461663e-02 -7.492461663e-02 5.32 -7.129044190e-02 -7.129044190e-02 5.34 -6.787841000e-02 -6.787841000e-02 5.36 -6.467343745e-02 -6.467343745e-02 5.38 -6.166102221e-02 -6.166102221e-02 5.40 -5.882831843e-02 -5.882831843e-02 5.42 -5.616311291e-02 -5.616311291e-02 5.44 -5.365380312e-02 -5.365380312e-02 5.46 -5.128939799e-02 -5.128939799e-02 5.48 -4.905950190e-02 -4.905950190e-02 5.50 -4.695428903e-02 -4.695428903e-02 5.52 -4.496447322e-02 -4.496447322e-02 5.54 -4.308127697e-02 -4.308127697e-02 5.56 -4.129640229e-02 -4.129640229e-02 5.58 -3.960200540e-02 -3.960200540e-02 5.60 -3.799067614e-02 -3.799067614e-02 5.62 -3.645542271e-02 -3.645542271e-02 5.64 -3.498966103e-02 -3.498966103e-02 5.66 -3.358720823e-02 -3.358720823e-02 5.68 -3.224227904e-02 -3.224227904e-02 5.70 -3.094948398e-02 -3.094948398e-02 5.72 -2.970382855e-02 -2.970382855e-02 5.74 -2.850071265e-02 -2.850071265e-02 5.76 -2.733593011e-02 -2.733593011e-02 5.78 -2.620566804e-02 -2.620566804e-02 5.80 -2.510650606e-02 -2.510650606e-02 5.82 -2.403541591e-02 -2.403541591e-02 5.84 -2.298976122e-02 -2.298976122e-02 5.86 -2.196729732e-02 -2.196729732e-02 5.88 -2.096617077e-02 -2.096617077e-02 5.90 -1.998491791e-02 -1.998491791e-02 5.92 -1.902246167e-02 -1.902246167e-02 5.94 -1.807810521e-02 -1.807810521e-02 5.96 -1.715152146e-02 -1.715152146e-02 5.98 -1.624273702e-02 -1.624273702e-02 6.00 -1.535210945e-02 -1.535210945e-02