# 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 = AuPtW2 # 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 4.879887692e+02 4.879887692e+02 1.30 4.539686134e+02 4.539686134e+02 1.32 4.223368904e+02 4.223368904e+02 1.34 3.929005706e+02 3.929005706e+02 1.36 3.655006919e+02 3.655006919e+02 1.38 3.400029207e+02 3.400029207e+02 1.40 3.162871432e+02 3.162871432e+02 1.42 2.942384411e+02 2.942384411e+02 1.44 2.737415972e+02 2.737415972e+02 1.46 2.546806326e+02 2.546806326e+02 1.48 2.369422295e+02 2.369422295e+02 1.50 2.204197251e+02 2.204197251e+02 1.52 2.050152289e+02 2.050152289e+02 1.54 1.906397062e+02 1.906397062e+02 1.56 1.772120863e+02 1.772120863e+02 1.58 1.646581516e+02 1.646581516e+02 1.60 1.529093834e+02 1.529093834e+02 1.62 1.419019421e+02 1.419019421e+02 1.64 1.315761712e+02 1.315761712e+02 1.66 1.218768778e+02 1.218768778e+02 1.68 1.127542227e+02 1.127542227e+02 1.70 1.041647467e+02 1.041647467e+02 1.72 9.607201538e+01 9.607201538e+01 1.74 8.844653654e+01 8.844653654e+01 1.76 8.126497135e+01 8.126497135e+01 1.78 7.450897612e+01 7.450897612e+01 1.80 6.816390873e+01 6.816390873e+01 1.82 6.221733520e+01 6.221733520e+01 1.84 5.665729514e+01 5.665729514e+01 1.86 5.147060687e+01 5.147060687e+01 1.88 4.664203813e+01 4.664203813e+01 1.90 4.215410594e+01 4.215410594e+01 1.92 3.798614628e+01 3.798614628e+01 1.94 3.414415835e+01 3.414415835e+01 1.96 3.064335117e+01 3.064335117e+01 1.98 2.745031350e+01 2.745031350e+01 2.00 2.453356494e+01 2.453356494e+01 2.02 2.186519170e+01 2.186519170e+01 2.04 1.942068731e+01 1.942068731e+01 2.06 1.717857835e+01 1.717857835e+01 2.08 1.511995914e+01 1.511995914e+01 2.10 1.322803991e+01 1.322803991e+01 2.12 1.148777826e+01 1.148777826e+01 2.14 9.885626093e+00 9.885626093e+00 2.16 8.409389162e+00 8.409389162e+00 2.18 7.048163767e+00 7.048163767e+00 2.20 5.792297387e+00 5.792297387e+00 2.22 4.633326136e+00 4.633326136e+00 2.24 3.563867681e+00 3.563867681e+00 2.26 2.577476014e+00 2.577476014e+00 2.28 1.668479906e+00 1.668479906e+00 2.30 8.318278346e-01 8.318278346e-01 2.32 6.295478284e-02 6.295478284e-02 2.34 -6.423228629e-01 -6.423228629e-01 2.36 -1.287885417e+00 -1.287885417e+00 2.38 -1.877366449e+00 -1.877366449e+00 2.40 -2.414195346e+00 -2.414195346e+00 2.42 -2.901633268e+00 -2.901633268e+00 2.44 -3.342807483e+00 -3.342807483e+00 2.46 -3.740744906e+00 -3.740744906e+00 2.48 -4.098400872e+00 -4.098400872e+00 2.50 -4.418675702e+00 -4.418675702e+00 2.52 -4.704371522e+00 -4.704371522e+00 2.54 -4.958095070e+00 -4.958095070e+00 2.56 -5.182619368e+00 -5.182619368e+00 2.58 -5.380539526e+00 -5.380539526e+00 2.60 -5.554176321e+00 -5.554176321e+00 2.62 -5.705550281e+00 -5.705550281e+00 2.64 -5.836387081e+00 -5.836387081e+00 2.66 -5.948150633e+00 -5.948150633e+00 2.68 -6.042010696e+00 -6.042010696e+00 2.70 -6.118513356e+00 -6.118513356e+00 2.72 -6.178335968e+00 -6.178335968e+00 2.74 -6.222997000e+00 -6.222997000e+00 2.76 -6.252771756e+00 -6.252771756e+00 2.78 -6.267890002e+00 -6.267890002e+00 2.80 -6.268672494e+00 -6.268672494e+00 2.82 -6.255518843e+00 -6.255518843e+00 2.84 -6.228900936e+00 -6.228900936e+00 2.86 -6.189363101e+00 -6.189363101e+00 2.88 -6.137528810e+00 -6.137528810e+00 2.90 -6.074111981e+00 -6.074111981e+00 2.92 -5.999929165e+00 -5.999929165e+00 2.94 -5.915907465e+00 -5.915907465e+00 2.96 -5.823082630e+00 -5.823082630e+00 2.98 -5.722582874e+00 -5.722582874e+00 3.00 -5.615596758e+00 -5.615596758e+00 3.02 -5.503351010e+00 -5.503351010e+00 3.04 -5.387068049e+00 -5.387068049e+00 3.06 -5.267747613e+00 -5.267747613e+00 3.08 -5.146254554e+00 -5.146254554e+00 3.10 -5.023299819e+00 -5.023299819e+00 3.12 -4.899424483e+00 -4.899424483e+00 3.14 -4.774999855e+00 -4.774999855e+00 3.16 -4.650240894e+00 -4.650240894e+00 3.18 -4.525226184e+00 -4.525226184e+00 3.20 -4.399919708e+00 -4.399919708e+00 3.22 -4.274210973e+00 -4.274210973e+00 3.24 -4.147948516e+00 -4.147948516e+00 3.26 -4.020969512e+00 -4.020969512e+00 3.28 -3.893127164e+00 -3.893127164e+00 3.30 -3.764315435e+00 -3.764315435e+00 3.32 -3.634490792e+00 -3.634490792e+00 3.34 -3.503690467e+00 -3.503690467e+00 3.36 -3.372046512e+00 -3.372046512e+00 3.38 -3.239798671e+00 -3.239798671e+00 3.40 -3.107522213e+00 -3.107522213e+00 3.42 -2.976196379e+00 -2.976196379e+00 3.44 -2.846809703e+00 -2.846809703e+00 3.46 -2.720293436e+00 -2.720293436e+00 3.48 -2.597487247e+00 -2.597487247e+00 3.50 -2.479108851e+00 -2.479108851e+00 3.52 -2.365731312e+00 -2.365731312e+00 3.54 -2.257770499e+00 -2.257770499e+00 3.56 -2.155483493e+00 -2.155483493e+00 3.58 -2.058977154e+00 -2.058977154e+00 3.60 -1.968224797e+00 -1.968224797e+00 3.62 -1.883088212e+00 -1.883088212e+00 3.64 -1.803342149e+00 -1.803342149e+00 3.66 -1.728698731e+00 -1.728698731e+00 3.68 -1.658829866e+00 -1.658829866e+00 3.70 -1.593386460e+00 -1.593386460e+00 3.72 -1.532013888e+00 -1.532013888e+00 3.74 -1.474363694e+00 -1.474363694e+00 3.76 -1.420101842e+00 -1.420101842e+00 3.78 -1.368914035e+00 -1.368914035e+00 3.80 -1.320508684e+00 -1.320508684e+00 3.82 -1.274618096e+00 -1.274618096e+00 3.84 -1.230998394e+00 -1.230998394e+00 3.86 -1.189428595e+00 -1.189428595e+00 3.88 -1.149709197e+00 -1.149709197e+00 3.90 -1.111660532e+00 -1.111660532e+00 3.92 -1.075121089e+00 -1.075121089e+00 3.94 -1.039945966e+00 -1.039945966e+00 3.96 -1.006005521e+00 -1.006005521e+00 3.98 -9.731843198e-01 -9.731843198e-01 4.00 -9.413803962e-01 -9.413803962e-01 4.02 -9.105048262e-01 -9.105048262e-01 4.04 -8.804815843e-01 -8.804815843e-01 4.06 -8.512476093e-01 -8.512476093e-01 4.08 -8.227529656e-01 -8.227529656e-01 4.10 -7.949609437e-01 -7.949609437e-01 4.12 -7.678479515e-01 -7.678479515e-01 4.14 -7.414029269e-01 -7.414029269e-01 4.16 -7.156262253e-01 -7.156262253e-01 4.18 -6.905277956e-01 -6.905277956e-01 4.20 -6.661246842e-01 -6.661246842e-01 4.22 -6.424379835e-01 -6.424379835e-01 4.24 -6.194894640e-01 -6.194894640e-01 4.26 -5.972982088e-01 -5.972982088e-01 4.28 -5.758775947e-01 -5.758775947e-01 4.30 -5.552329161e-01 -5.552329161e-01 4.32 -5.353598506e-01 -5.353598506e-01 4.34 -5.162438318e-01 -5.162438318e-01 4.36 -4.978602683e-01 -4.978602683e-01 4.38 -4.801754467e-01 -4.801754467e-01 4.40 -4.631479131e-01 -4.631479131e-01 4.42 -4.467301107e-01 -4.467301107e-01 4.44 -4.308700633e-01 -4.308700633e-01 4.46 -4.155129870e-01 -4.155129870e-01 4.48 -4.006029655e-01 -4.006029655e-01 4.50 -3.860842963e-01 -3.860842963e-01 4.52 -3.719010923e-01 -3.719010923e-01 4.54 -3.579992377e-01 -3.579992377e-01 4.56 -3.443278261e-01 -3.443278261e-01 4.58 -3.308394958e-01 -3.308394958e-01 4.60 -3.174909334e-01 -3.174909334e-01 4.62 -3.042436719e-01 -3.042436719e-01 4.64 -2.910649431e-01 -2.910649431e-01 4.66 -2.779285918e-01 -2.779285918e-01 4.68 -2.648160284e-01 -2.648160284e-01 4.70 -2.517171699e-01 -2.517171699e-01 4.72 -2.386312901e-01 -2.386312901e-01 4.74 -2.255676810e-01 -2.255676810e-01 4.76 -2.125460078e-01 -2.125460078e-01 4.78 -1.995962499e-01 -1.995962499e-01 4.80 -1.867581290e-01 -1.867581290e-01 4.82 -1.740799776e-01 -1.740799776e-01 4.84 -1.616170321e-01 -1.616170321e-01 4.86 -1.494292367e-01 -1.494292367e-01 4.88 -1.375786724e-01 -1.375786724e-01 4.90 -1.261268011e-01 -1.261268011e-01 4.92 -1.151317368e-01 -1.151317368e-01 4.94 -1.046457537e-01 -1.046457537e-01 4.96 -9.471321462e-02 -9.471321462e-02 4.98 -8.536904731e-02 -8.536904731e-02 5.00 -7.663783283e-02 -7.663783283e-02 5.02 -6.853350505e-02 -6.853350505e-02 5.04 -6.105960605e-02 -6.105960605e-02 5.06 -5.421000393e-02 -5.421000393e-02 5.08 -4.796995934e-02 -4.796995934e-02 5.10 -4.231742235e-02 -4.231742235e-02 5.12 -3.722444848e-02 -3.722444848e-02 5.14 -3.265863795e-02 -3.265863795e-02 5.16 -2.858451891e-02 -2.858451891e-02 5.18 -2.496481794e-02 -2.496481794e-02 5.20 -2.176158054e-02 -2.176158054e-02 5.22 -1.893711610e-02 -1.893711610e-02 5.24 -1.645457372e-02 -1.645457372e-02 5.26 -1.427866831e-02 -1.427866831e-02 5.28 -1.237670574e-02 -1.237670574e-02 5.30 -1.071816419e-02 -1.071816419e-02 5.32 -9.274883410e-03 -9.274883410e-03 5.34 -8.021160588e-03 -8.021160588e-03 5.36 -6.933750043e-03 -6.933750043e-03 5.38 -5.991792458e-03 -5.991792458e-03 5.40 -5.176695196e-03 -5.176695196e-03 5.42 -4.471981237e-03 -4.471981237e-03 5.44 -3.863120499e-03 -3.863120499e-03 5.46 -3.337354000e-03 -3.337354000e-03 5.48 -2.883518547e-03 -2.883518547e-03 5.50 -2.491877318e-03 -2.491877318e-03 5.52 -2.153959911e-03 -2.153959911e-03 5.54 -1.862413973e-03 -1.862413973e-03 5.56 -1.610869531e-03 -1.610869531e-03 5.58 -1.393816297e-03 -1.393816297e-03 5.60 -1.206493755e-03 -1.206493755e-03 5.62 -1.044793431e-03 -1.044793431e-03 5.64 -9.051725388e-04 -9.051725388e-04 5.66 -7.845780814e-04 -7.845780814e-04 5.68 -6.803804325e-04 -6.803804325e-04 5.70 -5.903154218e-04 -5.903154218e-04 5.72 -5.124339935e-04 -5.124339935e-04 5.74 -4.450585574e-04 -4.450585574e-04 5.76 -3.867452222e-04 -3.867452222e-04 5.78 -3.362511766e-04 -3.362511766e-04 5.80 -2.925065566e-04 -2.925065566e-04 5.82 -2.545902102e-04 -2.545902102e-04 5.84 -2.217088392e-04 -2.217088392e-04 5.86 -1.931790603e-04 -1.931790603e-04 5.88 -1.684119868e-04 -1.684119868e-04 5.90 -1.468999804e-04 -1.468999804e-04 5.92 -1.282052723e-04 -1.282052723e-04 5.94 -1.119501916e-04 -1.119501916e-04 5.96 -9.780877294e-05 -9.780877294e-05 5.98 -8.549955097e-05 -8.549955097e-05 6.00 -7.477937118e-05 -7.477937118e-05