# 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 = CoWZr2 # 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 3.404617045e+02 3.404617045e+02 1.30 3.153672714e+02 3.153672714e+02 1.32 2.921502054e+02 2.921502054e+02 1.34 2.706571176e+02 2.706571176e+02 1.36 2.507477076e+02 2.507477076e+02 1.38 2.322941158e+02 2.322941158e+02 1.40 2.151801934e+02 2.151801934e+02 1.42 1.992999932e+02 1.992999932e+02 1.44 1.845561770e+02 1.845561770e+02 1.46 1.708595321e+02 1.708595321e+02 1.48 1.581293558e+02 1.581293558e+02 1.50 1.462932775e+02 1.462932775e+02 1.52 1.352861150e+02 1.352861150e+02 1.54 1.250485627e+02 1.250485627e+02 1.56 1.155265286e+02 1.155265286e+02 1.58 1.066710301e+02 1.066710301e+02 1.60 9.843780434e+01 9.843780434e+01 1.62 9.078626785e+01 9.078626785e+01 1.64 8.367823057e+01 8.367823057e+01 1.66 7.707696392e+01 7.707696392e+01 1.68 7.094689910e+01 7.094689910e+01 1.70 6.525393995e+01 6.525393995e+01 1.72 5.996587155e+01 5.996587155e+01 1.74 5.505265523e+01 5.505265523e+01 1.76 5.048649772e+01 5.048649772e+01 1.78 4.624182447e+01 4.624182447e+01 1.80 4.229513464e+01 4.229513464e+01 1.82 3.862483322e+01 3.862483322e+01 1.84 3.521093660e+01 3.521093660e+01 1.86 3.203498842e+01 3.203498842e+01 1.88 2.908008039e+01 2.908008039e+01 1.90 2.633092029e+01 2.633092029e+01 1.92 2.377374035e+01 2.377374035e+01 1.94 2.139606871e+01 2.139606871e+01 1.96 1.918638203e+01 1.918638203e+01 1.98 1.713424029e+01 1.713424029e+01 2.00 1.523068425e+01 1.523068425e+01 2.02 1.346600023e+01 1.346600023e+01 2.04 1.183102918e+01 1.183102918e+01 2.06 1.031708825e+01 1.031708825e+01 2.08 8.915387969e+00 8.915387969e+00 2.10 7.617434663e+00 7.617434663e+00 2.12 6.415105033e+00 6.415105033e+00 2.14 5.300761256e+00 5.300761256e+00 2.16 4.267400401e+00 4.267400401e+00 2.18 3.308742421e+00 3.308742421e+00 2.20 2.419246728e+00 2.419246728e+00 2.22 1.594028153e+00 1.594028153e+00 2.24 8.287502245e-01 8.287502245e-01 2.26 1.195291495e-01 1.195291495e-01 2.28 -5.371500647e-01 -5.371500647e-01 2.30 -1.144457689e+00 -1.144457689e+00 2.32 -1.705307076e+00 -1.705307076e+00 2.34 -2.222362565e+00 -2.222362565e+00 2.36 -2.698123819e+00 -2.698123819e+00 2.38 -3.134967655e+00 -3.134967655e+00 2.40 -3.535188331e+00 -3.535188331e+00 2.42 -3.901033746e+00 -3.901033746e+00 2.44 -4.234715802e+00 -4.234715802e+00 2.46 -4.538419997e+00 -4.538419997e+00 2.48 -4.814290163e+00 -4.814290163e+00 2.50 -5.064400440e+00 -5.064400440e+00 2.52 -5.290719870e+00 -5.290719870e+00 2.54 -5.495078690e+00 -5.495078690e+00 2.56 -5.679144398e+00 -5.679144398e+00 2.58 -5.844412694e+00 -5.844412694e+00 2.60 -5.992214180e+00 -5.992214180e+00 2.62 -6.123729064e+00 -6.123729064e+00 2.64 -6.240029328e+00 -6.240029328e+00 2.66 -6.342075953e+00 -6.342075953e+00 2.68 -6.430762224e+00 -6.430762224e+00 2.70 -6.506926581e+00 -6.506926581e+00 2.72 -6.571352795e+00 -6.571352795e+00 2.74 -6.624748083e+00 -6.624748083e+00 2.76 -6.667880385e+00 -6.667880385e+00 2.78 -6.701486004e+00 -6.701486004e+00 2.80 -6.726341096e+00 -6.726341096e+00 2.82 -6.743105581e+00 -6.743105581e+00 2.84 -6.752249442e+00 -6.752249442e+00 2.86 -6.754224558e+00 -6.754224558e+00 2.88 -6.749464922e+00 -6.749464922e+00 2.90 -6.738387959e+00 -6.738387959e+00 2.92 -6.721371111e+00 -6.721371111e+00 2.94 -6.698656470e+00 -6.698656470e+00 2.96 -6.670443822e+00 -6.670443822e+00 2.98 -6.636793738e+00 -6.636793738e+00 3.00 -6.597638220e+00 -6.597638220e+00 3.02 -6.552929818e+00 -6.552929818e+00 3.04 -6.502680013e+00 -6.502680013e+00 3.06 -6.446958566e+00 -6.446958566e+00 3.08 -6.385856877e+00 -6.385856877e+00 3.10 -6.319495531e+00 -6.319495531e+00 3.12 -6.248006309e+00 -6.248006309e+00 3.14 -6.171501840e+00 -6.171501840e+00 3.16 -6.090076487e+00 -6.090076487e+00 3.18 -6.003871693e+00 -6.003871693e+00 3.20 -5.913068216e+00 -5.913068216e+00 3.22 -5.817883841e+00 -5.817883841e+00 3.24 -5.718572604e+00 -5.718572604e+00 3.26 -5.615425329e+00 -5.615425329e+00 3.28 -5.508770370e+00 -5.508770370e+00 3.30 -5.398972811e+00 -5.398972811e+00 3.32 -5.286430558e+00 -5.286430558e+00 3.34 -5.171566993e+00 -5.171566993e+00 3.36 -5.054821420e+00 -5.054821420e+00 3.38 -4.936639594e+00 -4.936639594e+00 3.40 -4.817464785e+00 -4.817464785e+00 3.42 -4.697740522e+00 -4.697740522e+00 3.44 -4.577897566e+00 -4.577897566e+00 3.46 -4.458360302e+00 -4.458360302e+00 3.48 -4.339541877e+00 -4.339541877e+00 3.50 -4.221839035e+00 -4.221839035e+00 3.52 -4.105624540e+00 -4.105624540e+00 3.54 -3.991238107e+00 -3.991238107e+00 3.56 -3.878977261e+00 -3.878977261e+00 3.58 -3.769089601e+00 -3.769089601e+00 3.60 -3.661767612e+00 -3.661767612e+00 3.62 -3.557146706e+00 -3.557146706e+00 3.64 -3.455306641e+00 -3.455306641e+00 3.66 -3.356276029e+00 -3.356276029e+00 3.68 -3.260039373e+00 -3.260039373e+00 3.70 -3.166545884e+00 -3.166545884e+00 3.72 -3.075719345e+00 -3.075719345e+00 3.74 -2.987468273e+00 -2.987468273e+00 3.76 -2.901695708e+00 -2.901695708e+00 3.78 -2.818308008e+00 -2.818308008e+00 3.80 -2.737222024e+00 -2.737222024e+00 3.82 -2.658370096e+00 -2.658370096e+00 3.84 -2.581702394e+00 -2.581702394e+00 3.86 -2.507186349e+00 -2.507186349e+00 3.88 -2.434803284e+00 -2.434803284e+00 3.90 -2.364542816e+00 -2.364542816e+00 3.92 -2.296392428e+00 -2.296392428e+00 3.94 -2.230345913e+00 -2.230345913e+00 3.96 -2.166373906e+00 -2.166373906e+00 3.98 -2.104437532e+00 -2.104437532e+00 4.00 -2.044483045e+00 -2.044483045e+00 4.02 -1.986443211e+00 -1.986443211e+00 4.04 -1.930240287e+00 -1.930240287e+00 4.06 -1.875789814e+00 -1.875789814e+00 4.08 -1.823004531e+00 -1.823004531e+00 4.10 -1.771789280e+00 -1.771789280e+00 4.12 -1.722080007e+00 -1.722080007e+00 4.14 -1.673788876e+00 -1.673788876e+00 4.16 -1.626845804e+00 -1.626845804e+00 4.18 -1.581188581e+00 -1.581188581e+00 4.20 -1.536763151e+00 -1.536763151e+00 4.22 -1.493523460e+00 -1.493523460e+00 4.24 -1.451430960e+00 -1.451430960e+00 4.26 -1.410453779e+00 -1.410453779e+00 4.28 -1.370565634e+00 -1.370565634e+00 4.30 -1.331744523e+00 -1.331744523e+00 4.32 -1.293971305e+00 -1.293971305e+00 4.34 -1.257228290e+00 -1.257228290e+00 4.36 -1.221497953e+00 -1.221497953e+00 4.38 -1.186761910e+00 -1.186761910e+00 4.40 -1.153000215e+00 -1.153000215e+00 4.42 -1.120191025e+00 -1.120191025e+00 4.44 -1.088310571e+00 -1.088310571e+00 4.46 -1.057333388e+00 -1.057333388e+00 4.48 -1.027232703e+00 -1.027232703e+00 4.50 -9.979808817e-01 -9.979808817e-01 4.52 -9.695498809e-01 -9.695498809e-01 4.54 -9.419116389e-01 -9.419116389e-01 4.56 -9.150383907e-01 -9.150383907e-01 4.58 -8.889029002e-01 -8.889029002e-01 4.60 -8.634786179e-01 -8.634786179e-01 4.62 -8.387397816e-01 -8.387397816e-01 4.64 -8.146614794e-01 -8.146614794e-01 4.66 -7.912196936e-01 -7.912196936e-01 4.68 -7.683913431e-01 -7.683913431e-01 4.70 -7.461543375e-01 -7.461543375e-01 4.72 -7.244876533e-01 -7.244876533e-01 4.74 -7.033714377e-01 -7.033714377e-01 4.76 -6.827871406e-01 -6.827871406e-01 4.78 -6.627176705e-01 -6.627176705e-01 4.80 -6.431413863e-01 -6.431413863e-01 4.82 -6.240580156e-01 -6.240580156e-01 4.84 -6.054484049e-01 -6.054484049e-01 4.86 -5.873028394e-01 -5.873028394e-01 4.88 -5.696135868e-01 -5.696135868e-01 4.90 -5.523747684e-01 -5.523747684e-01 4.92 -5.355820944e-01 -5.355820944e-01 4.94 -5.192324608e-01 -5.192324608e-01 4.96 -5.033234243e-01 -5.033234243e-01 4.98 -4.878525942e-01 -4.878525942e-01 5.00 -4.728169964e-01 -4.728169964e-01 5.02 -4.582124748e-01 -4.582124748e-01 5.04 -4.440331951e-01 -4.440331951e-01 5.06 -4.302713010e-01 -4.302713010e-01 5.08 -4.169167530e-01 -4.169167530e-01 5.10 -4.039573547e-01 -4.039573547e-01 5.12 -3.913789493e-01 -3.913789493e-01 5.14 -3.791657531e-01 -3.791657531e-01 5.16 -3.673007827e-01 -3.673007827e-01 5.18 -3.557663371e-01 -3.557663371e-01 5.20 -3.445444972e-01 -3.445444972e-01 5.22 -3.336176182e-01 -3.336176182e-01 5.24 -3.229687976e-01 -3.229687976e-01 5.26 -3.125823095e-01 -3.125823095e-01 5.28 -3.024439992e-01 -3.024439992e-01 5.30 -2.925416346e-01 -2.925416346e-01 5.32 -2.828652070e-01 -2.828652070e-01 5.34 -2.734071700e-01 -2.734071700e-01 5.36 -2.641626011e-01 -2.641626011e-01 5.38 -2.551292672e-01 -2.551292672e-01 5.40 -2.463075722e-01 -2.463075722e-01 5.42 -2.377003701e-01 -2.377003701e-01 5.44 -2.293126348e-01 -2.293126348e-01 5.46 -2.211509876e-01 -2.211509876e-01 5.48 -2.132231033e-01 -2.132231033e-01 5.50 -2.055370277e-01 -2.055370277e-01 5.52 -1.981004600e-01 -1.981004600e-01 5.54 -1.909200541e-01 -1.909200541e-01 5.56 -1.840007997e-01 -1.840007997e-01 5.58 -1.773455323e-01 -1.773455323e-01 5.60 -1.709544045e-01 -1.709544045e-01 5.62 -1.648249894e-01 -1.648249894e-01 5.64 -1.589526501e-01 -1.589526501e-01 5.66 -1.533302580e-01 -1.533302580e-01 5.68 -1.479485004e-01 -1.479485004e-01 5.70 -1.427962674e-01 -1.427962674e-01 5.72 -1.378610710e-01 -1.378610710e-01 5.74 -1.331294605e-01 -1.331294605e-01 5.76 -1.285874062e-01 -1.285874062e-01 5.78 -1.242206341e-01 -1.242206341e-01 5.80 -1.200149025e-01 -1.200149025e-01 5.82 -1.159562189e-01 -1.159562189e-01 5.84 -1.120310008e-01 -1.120310008e-01 5.86 -1.082261892e-01 -1.082261892e-01 5.88 -1.045293231e-01 -1.045293231e-01 5.90 -1.009285845e-01 -1.009285845e-01 5.92 -9.741282635e-02 -9.741282635e-02 5.94 -9.397158899e-02 -9.397158899e-02 5.96 -9.059511607e-02 -9.059511607e-02 5.98 -8.727437448e-02 -8.727437448e-02 6.00 -8.400108448e-02 -8.400108448e-02