# 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 = AlCu2Ta # 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 1.468500631e+02 1.468500631e+02 1.30 1.356991476e+02 1.356991476e+02 1.32 1.253737007e+02 1.253737007e+02 1.34 1.158086251e+02 1.158086251e+02 1.36 1.069459734e+02 1.069459734e+02 1.38 9.873373120e+01 9.873373120e+01 1.40 9.112466246e+01 9.112466246e+01 1.42 8.407531718e+01 8.407531718e+01 1.44 7.754483958e+01 7.754483958e+01 1.46 7.149376624e+01 7.149376624e+01 1.48 6.588351096e+01 6.588351096e+01 1.50 6.067681695e+01 6.067681695e+01 1.52 5.583866158e+01 5.583866158e+01 1.54 5.133697278e+01 5.133697278e+01 1.56 4.714302674e+01 4.714302674e+01 1.58 4.323167724e+01 4.323167724e+01 1.60 3.958141877e+01 3.958141877e+01 1.62 3.617412421e+01 3.617412421e+01 1.64 3.299441297e+01 3.299441297e+01 1.66 3.003212616e+01 3.003212616e+01 1.68 2.727674984e+01 2.727674984e+01 1.70 2.471610201e+01 2.471610201e+01 1.72 2.233861776e+01 2.233861776e+01 1.74 2.013420840e+01 2.013420840e+01 1.76 1.809336182e+01 1.809336182e+01 1.78 1.620575675e+01 1.620575675e+01 1.80 1.446145230e+01 1.446145230e+01 1.82 1.285096363e+01 1.285096363e+01 1.84 1.136534434e+01 1.136534434e+01 1.86 9.996207832e+00 9.996207832e+00 1.88 8.735653985e+00 8.735653985e+00 1.90 7.576115195e+00 7.576115195e+00 1.92 6.510175356e+00 6.510175356e+00 1.94 5.530437521e+00 5.530437521e+00 1.96 4.629508459e+00 4.629508459e+00 1.98 3.800128355e+00 3.800128355e+00 2.00 3.035415787e+00 3.035415787e+00 2.02 2.329148556e+00 2.329148556e+00 2.04 1.675981681e+00 1.675981681e+00 2.06 1.071528161e+00 1.071528161e+00 2.08 5.122876124e-01 5.122876124e-01 2.10 -4.532636756e-03 -4.532636756e-03 2.12 -4.812340967e-01 -4.812340967e-01 2.14 -9.198232888e-01 -9.198232888e-01 2.16 -1.322158023e+00 -1.322158023e+00 2.18 -1.690039583e+00 -1.690039583e+00 2.20 -2.025260842e+00 -2.025260842e+00 2.22 -2.329625444e+00 -2.329625444e+00 2.24 -2.604953156e+00 -2.604953156e+00 2.26 -2.853083747e+00 -2.853083747e+00 2.28 -3.075885586e+00 -3.075885586e+00 2.30 -3.275263936e+00 -3.275263936e+00 2.32 -3.453021584e+00 -3.453021584e+00 2.34 -3.611192313e+00 -3.611192313e+00 2.36 -3.751901745e+00 -3.751901745e+00 2.38 -3.877098582e+00 -3.877098582e+00 2.40 -3.988483309e+00 -3.988483309e+00 2.42 -4.087472407e+00 -4.087472407e+00 2.44 -4.175005814e+00 -4.175005814e+00 2.46 -4.251555869e+00 -4.251555869e+00 2.48 -4.317605019e+00 -4.317605019e+00 2.50 -4.373686174e+00 -4.373686174e+00 2.52 -4.420376795e+00 -4.420376795e+00 2.54 -4.458292934e+00 -4.458292934e+00 2.56 -4.488082211e+00 -4.488082211e+00 2.58 -4.510414986e+00 -4.510414986e+00 2.60 -4.525972168e+00 -4.525972168e+00 2.62 -4.535428352e+00 -4.535428352e+00 2.64 -4.539431316e+00 -4.539431316e+00 2.66 -4.538581805e+00 -4.538581805e+00 2.68 -4.533418651e+00 -4.533418651e+00 2.70 -4.524411683e+00 -4.524411683e+00 2.72 -4.511961227e+00 -4.511961227e+00 2.74 -4.496698592e+00 -4.496698592e+00 2.76 -4.479344099e+00 -4.479344099e+00 2.78 -4.460051040e+00 -4.460051040e+00 2.80 -4.438901928e+00 -4.438901928e+00 2.82 -4.415492527e+00 -4.415492527e+00 2.84 -4.389485577e+00 -4.389485577e+00 2.86 -4.360614267e+00 -4.360614267e+00 2.88 -4.328676776e+00 -4.328676776e+00 2.90 -4.293533892e+00 -4.293533892e+00 2.92 -4.255117649e+00 -4.255117649e+00 2.94 -4.213419508e+00 -4.213419508e+00 2.96 -4.168479202e+00 -4.168479202e+00 2.98 -4.120400255e+00 -4.120400255e+00 3.00 -4.069340985e+00 -4.069340985e+00 3.02 -4.015490354e+00 -4.015490354e+00 3.04 -3.959061795e+00 -3.959061795e+00 3.06 -3.900285475e+00 -3.900285475e+00 3.08 -3.839397755e+00 -3.839397755e+00 3.10 -3.776629077e+00 -3.776629077e+00 3.12 -3.712192101e+00 -3.712192101e+00 3.14 -3.646272529e+00 -3.646272529e+00 3.16 -3.579024486e+00 -3.579024486e+00 3.18 -3.510571432e+00 -3.510571432e+00 3.20 -3.441012131e+00 -3.441012131e+00 3.22 -3.370430294e+00 -3.370430294e+00 3.24 -3.298905919e+00 -3.298905919e+00 3.26 -3.226526306e+00 -3.226526306e+00 3.28 -3.153394979e+00 -3.153394979e+00 3.30 -3.079637221e+00 -3.079637221e+00 3.32 -3.005401536e+00 -3.005401536e+00 3.34 -2.930856933e+00 -2.930856933e+00 3.36 -2.856186599e+00 -2.856186599e+00 3.38 -2.781578991e+00 -2.781578991e+00 3.40 -2.707217732e+00 -2.707217732e+00 3.42 -2.633271757e+00 -2.633271757e+00 3.44 -2.559886938e+00 -2.559886938e+00 3.46 -2.487180139e+00 -2.487180139e+00 3.48 -2.415236084e+00 -2.415236084e+00 3.50 -2.344107058e+00 -2.344107058e+00 3.52 -2.273815128e+00 -2.273815128e+00 3.54 -2.204356331e+00 -2.204356331e+00 3.56 -2.135706283e+00 -2.135706283e+00 3.58 -2.067826646e+00 -2.067826646e+00 3.60 -2.000672031e+00 -2.000672031e+00 3.62 -1.934196964e+00 -1.934196964e+00 3.64 -1.868362695e+00 -1.868362695e+00 3.66 -1.803143586e+00 -1.803143586e+00 3.68 -1.738532892e+00 -1.738532892e+00 3.70 -1.674547669e+00 -1.674547669e+00 3.72 -1.611232500e+00 -1.611232500e+00 3.74 -1.548661685e+00 -1.548661685e+00 3.76 -1.486939537e+00 -1.486939537e+00 3.78 -1.426198452e+00 -1.426198452e+00 3.80 -1.366594571e+00 -1.366594571e+00 3.82 -1.308301053e+00 -1.308301053e+00 3.84 -1.251499298e+00 -1.251499298e+00 3.86 -1.196368740e+00 -1.196368740e+00 3.88 -1.143076147e+00 -1.143076147e+00 3.90 -1.091765470e+00 -1.091765470e+00 3.92 -1.042549305e+00 -1.042549305e+00 3.94 -9.955027971e-01 -9.955027971e-01 3.96 -9.506604172e-01 -9.506604172e-01 3.98 -9.080157598e-01 -9.080157598e-01 4.00 -8.675239845e-01 -8.675239845e-01 4.02 -8.291063586e-01 -8.291063586e-01 4.04 -7.926562010e-01 -7.926562010e-01 4.06 -7.580455420e-01 -7.580455420e-01 4.08 -7.251319228e-01 -7.251319228e-01 4.10 -6.937649011e-01 -6.937649011e-01 4.12 -6.637920534e-01 -6.637920534e-01 4.14 -6.350642041e-01 -6.350642041e-01 4.16 -6.074400367e-01 -6.074400367e-01 4.18 -5.807899506e-01 -5.807899506e-01 4.20 -5.549992488e-01 -5.549992488e-01 4.22 -5.299706534e-01 -5.299706534e-01 4.24 -5.056261283e-01 -5.056261283e-01 4.26 -4.819079626e-01 -4.819079626e-01 4.28 -4.587790552e-01 -4.587790552e-01 4.30 -4.362223551e-01 -4.362223551e-01 4.32 -4.142394424e-01 -4.142394424e-01 4.34 -3.928482891e-01 -3.928482891e-01 4.36 -3.720802957e-01 -3.720802957e-01 4.38 -3.519767535e-01 -3.519767535e-01 4.40 -3.325849230e-01 -3.325849230e-01 4.42 -3.139539418e-01 -3.139539418e-01 4.44 -2.961307908e-01 -2.961307908e-01 4.46 -2.791565458e-01 -2.791565458e-01 4.48 -2.630631361e-01 -2.630631361e-01 4.50 -2.478708052e-01 -2.478708052e-01 4.52 -2.335864247e-01 -2.335864247e-01 4.54 -2.202027459e-01 -2.202027459e-01 4.56 -2.076985868e-01 -2.076985868e-01 4.58 -1.960398713e-01 -1.960398713e-01 4.60 -1.851813541e-01 -1.851813541e-01 4.62 -1.750688152e-01 -1.750688152e-01 4.64 -1.656414983e-01 -1.656414983e-01 4.66 -1.568346038e-01 -1.568346038e-01 4.68 -1.485816741e-01 -1.485816741e-01 4.70 -1.408167292e-01 -1.408167292e-01 4.72 -1.334758404e-01 -1.334758404e-01 4.74 -1.264991527e-01 -1.264991527e-01 4.76 -1.198319252e-01 -1.198319252e-01 4.78 -1.134251390e-01 -1.134251390e-01 4.80 -1.072367598e-01 -1.072367598e-01 4.82 -1.012317868e-01 -1.012317868e-01 4.84 -9.538255040e-02 -9.538255040e-02 4.86 -8.966890323e-02 -8.966890323e-02 4.88 -8.407816150e-02 -8.407816150e-02 4.90 -7.860482721e-02 -7.860482721e-02 4.92 -7.325007269e-02 -7.325007269e-02 4.94 -6.802098156e-02 -6.802098156e-02 4.96 -6.292955529e-02 -6.292955529e-02 4.98 -5.799151677e-02 -5.799151677e-02 5.00 -5.322496708e-02 -5.322496708e-02 5.02 -4.864897366e-02 -4.864897366e-02 5.04 -4.428218292e-02 -4.428218292e-02 5.06 -4.014155307e-02 -4.014155307e-02 5.08 -3.624129316e-02 -3.624129316e-02 5.10 -3.259207235e-02 -3.259207235e-02 5.12 -2.920053402e-02 -2.920053402e-02 5.14 -2.606911700e-02 -2.606911700e-02 5.16 -2.319615737e-02 -2.319615737e-02 5.18 -2.057621985e-02 -2.057621985e-02 5.20 -1.820059827e-02 -1.820059827e-02 5.22 -1.605791975e-02 -1.605791975e-02 5.24 -1.413478914e-02 -1.413478914e-02 5.26 -1.241640331e-02 -1.241640331e-02 5.28 -1.088689245e-02 -1.088689245e-02 5.30 -9.530494998e-03 -9.530494998e-03 5.32 -8.331641868e-03 -8.331641868e-03 5.34 -7.275149476e-03 -7.275149476e-03 5.36 -6.346500010e-03 -6.346500010e-03 5.38 -5.532034730e-03 -5.532034730e-03 5.40 -4.819073938e-03 -4.819073938e-03 5.42 -4.195977686e-03 -4.195977686e-03 5.44 -3.652160541e-03 -3.652160541e-03 5.46 -3.178072233e-03 -3.178072233e-03 5.48 -2.765154224e-03 -2.765154224e-03 5.50 -2.405780405e-03 -2.405780405e-03 5.52 -2.093188374e-03 -2.093188374e-03 5.54 -1.821406241e-03 -1.821406241e-03 5.56 -1.585178572e-03 -1.585178572e-03 5.58 -1.379894045e-03 -1.379894045e-03 5.60 -1.201516543e-03 -1.201516543e-03 5.62 -1.046520755e-03 -1.046520755e-03 5.64 -9.118328690e-04 -9.118328690e-04 5.66 -7.947765970e-04 -7.947765970e-04 5.68 -6.930245008e-04 -6.930245008e-04 5.70 -6.045544429e-04 -6.045544429e-04 5.72 -5.276108618e-04 -5.276108618e-04 5.74 -4.606705181e-04 -4.606705181e-04 5.76 -4.024123230e-04 -4.024123230e-04 5.78 -3.516908599e-04 -3.516908599e-04 5.80 -3.075132155e-04 -3.075132155e-04 5.82 -2.690187558e-04 -2.690187558e-04 5.84 -2.354615103e-04 -2.354615103e-04 5.86 -2.061948531e-04 -2.061948531e-04 5.88 -1.806581999e-04 -1.806581999e-04 5.90 -1.583654690e-04 -1.583654690e-04 5.92 -1.388950808e-04 -1.388950808e-04 5.94 -1.218812977e-04 -1.218812977e-04 5.96 -1.070067280e-04 -1.070067280e-04 5.98 -9.399584014e-05 -9.399584014e-05 6.00 -8.260935324e-05 -8.260935324e-05