# 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 = AlCu2W # 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 1.580661949e+02 1.580661949e+02 1.30 1.457348867e+02 1.457348867e+02 1.32 1.343561195e+02 1.343561195e+02 1.34 1.238558575e+02 1.238558575e+02 1.36 1.141638424e+02 1.141638424e+02 1.38 1.052134639e+02 1.052134639e+02 1.40 9.694205794e+01 9.694205794e+01 1.42 8.929154533e+01 8.929154533e+01 1.44 8.220862244e+01 8.220862244e+01 1.46 7.564443726e+01 7.564443726e+01 1.48 6.955456188e+01 6.955456188e+01 1.50 6.389957830e+01 6.389957830e+01 1.52 5.864553271e+01 5.864553271e+01 1.54 5.376347250e+01 5.376347250e+01 1.56 4.922821527e+01 4.922821527e+01 1.58 4.501713058e+01 4.501713058e+01 1.60 4.110946255e+01 4.110946255e+01 1.62 3.748609324e+01 3.748609324e+01 1.64 3.412959305e+01 3.412959305e+01 1.66 3.102392313e+01 3.102392313e+01 1.68 2.815330481e+01 2.815330481e+01 1.70 2.550251871e+01 2.550251871e+01 1.72 2.305676539e+01 2.305676539e+01 1.74 2.080290195e+01 2.080290195e+01 1.76 1.872721064e+01 1.872721064e+01 1.78 1.681495887e+01 1.681495887e+01 1.80 1.505174222e+01 1.505174222e+01 1.82 1.342397832e+01 1.342397832e+01 1.84 1.191942122e+01 1.191942122e+01 1.86 1.052747503e+01 1.052747503e+01 1.88 9.239203807e+00 9.239203807e+00 1.90 8.047068397e+00 8.047068397e+00 1.92 6.944523725e+00 6.944523725e+00 1.94 5.925643488e+00 5.925643488e+00 1.96 4.984889128e+00 4.984889128e+00 1.98 4.117038855e+00 4.117038855e+00 2.00 3.317208277e+00 3.317208277e+00 2.02 2.580874027e+00 2.580874027e+00 2.04 1.903844653e+00 1.903844653e+00 2.06 1.282172983e+00 1.282172983e+00 2.08 7.120452205e-01 7.120452205e-01 2.10 1.896975396e-01 1.896975396e-01 2.12 -2.886044679e-01 -2.886044679e-01 2.14 -7.265205149e-01 -7.265205149e-01 2.16 -1.127549403e+00 -1.127549403e+00 2.18 -1.494937521e+00 -1.494937521e+00 2.20 -1.831605175e+00 -1.831605175e+00 2.22 -2.140015472e+00 -2.140015472e+00 2.24 -2.422514801e+00 -2.422514801e+00 2.26 -2.681201430e+00 -2.681201430e+00 2.28 -2.917896356e+00 -2.917896356e+00 2.30 -3.134216551e+00 -3.134216551e+00 2.32 -3.331627969e+00 -3.331627969e+00 2.34 -3.511439147e+00 -3.511439147e+00 2.36 -3.674563445e+00 -3.674563445e+00 2.38 -3.821724766e+00 -3.821724766e+00 2.40 -3.953626584e+00 -3.953626584e+00 2.42 -4.070936628e+00 -4.070936628e+00 2.44 -4.174296562e+00 -4.174296562e+00 2.46 -4.264346410e+00 -4.264346410e+00 2.48 -4.341749448e+00 -4.341749448e+00 2.50 -4.407207646e+00 -4.407207646e+00 2.52 -4.461464376e+00 -4.461464376e+00 2.54 -4.505296677e+00 -4.505296677e+00 2.56 -4.539501950e+00 -4.539501950e+00 2.58 -4.564882837e+00 -4.564882837e+00 2.60 -4.582231238e+00 -4.582231238e+00 2.62 -4.592310764e+00 -4.592310764e+00 2.64 -4.595838214e+00 -4.595838214e+00 2.66 -4.593467115e+00 -4.593467115e+00 2.68 -4.585777421e+00 -4.585777421e+00 2.70 -4.573729197e+00 -4.573729197e+00 2.72 -4.558223832e+00 -4.558223832e+00 2.74 -4.539269659e+00 -4.539269659e+00 2.76 -4.517156734e+00 -4.517156734e+00 2.78 -4.491884741e+00 -4.491884741e+00 2.80 -4.463019763e+00 -4.463019763e+00 2.82 -4.430207616e+00 -4.430207616e+00 2.84 -4.393171550e+00 -4.393171550e+00 2.86 -4.351727750e+00 -4.351727750e+00 2.88 -4.305758206e+00 -4.305758206e+00 2.90 -4.255208312e+00 -4.255208312e+00 2.92 -4.200093566e+00 -4.200093566e+00 2.94 -4.140526680e+00 -4.140526680e+00 2.96 -4.076727288e+00 -4.076727288e+00 2.98 -4.008996078e+00 -4.008996078e+00 3.00 -3.937712952e+00 -3.937712952e+00 3.02 -3.863330840e+00 -3.863330840e+00 3.04 -3.786360803e+00 -3.786360803e+00 3.06 -3.707348221e+00 -3.707348221e+00 3.08 -3.626841606e+00 -3.626841606e+00 3.10 -3.545358101e+00 -3.545358101e+00 3.12 -3.463350846e+00 -3.463350846e+00 3.14 -3.381183687e+00 -3.381183687e+00 3.16 -3.299117043e+00 -3.299117043e+00 3.18 -3.217306335e+00 -3.217306335e+00 3.20 -3.135811721e+00 -3.135811721e+00 3.22 -3.054616252e+00 -3.054616252e+00 3.24 -2.973648947e+00 -2.973648947e+00 3.26 -2.892809607e+00 -2.892809607e+00 3.28 -2.811992891e+00 -2.811992891e+00 3.30 -2.731109999e+00 -2.731109999e+00 3.32 -2.650106817e+00 -2.650106817e+00 3.34 -2.568977816e+00 -2.568977816e+00 3.36 -2.487775161e+00 -2.487775161e+00 3.38 -2.406612729e+00 -2.406612729e+00 3.40 -2.325664920e+00 -2.325664920e+00 3.42 -2.245160478e+00 -2.245160478e+00 3.44 -2.165371838e+00 -2.165371838e+00 3.46 -2.086600978e+00 -2.086600978e+00 3.48 -2.009162987e+00 -2.009162987e+00 3.50 -1.933368856e+00 -1.933368856e+00 3.52 -1.859509005e+00 -1.859509005e+00 3.54 -1.787838986e+00 -1.787838986e+00 3.56 -1.718568461e+00 -1.718568461e+00 3.58 -1.651854166e+00 -1.651854166e+00 3.60 -1.587797063e+00 -1.587797063e+00 3.62 -1.526443461e+00 -1.526443461e+00 3.64 -1.467789511e+00 -1.467789511e+00 3.66 -1.411788254e+00 -1.411788254e+00 3.68 -1.358358301e+00 -1.358358301e+00 3.70 -1.307393250e+00 -1.307393250e+00 3.72 -1.258771030e+00 -1.258771030e+00 3.74 -1.212362474e+00 -1.212362474e+00 3.76 -1.168038599e+00 -1.168038599e+00 3.78 -1.125676176e+00 -1.125676176e+00 3.80 -1.085161360e+00 -1.085161360e+00 3.82 -1.046391297e+00 -1.046391297e+00 3.84 -1.009273842e+00 -1.009273842e+00 3.86 -9.737257184e-01 -9.737257184e-01 3.88 -9.396696211e-01 -9.396696211e-01 3.90 -9.070308825e-01 -9.070308825e-01 3.92 -8.757343171e-01 -8.757343171e-01 3.94 -8.457017730e-01 -8.457017730e-01 3.96 -8.168506306e-01 -8.168506306e-01 3.98 -7.890934265e-01 -7.890934265e-01 4.00 -7.623384146e-01 -7.623384146e-01 4.02 -7.364908557e-01 -7.364908557e-01 4.04 -7.114547494e-01 -7.114547494e-01 4.06 -6.871347585e-01 -6.871347585e-01 4.08 -6.634381472e-01 -6.634381472e-01 4.10 -6.402766266e-01 -6.402766266e-01 4.12 -6.175681362e-01 -6.175681362e-01 4.14 -5.952384345e-01 -5.952384345e-01 4.16 -5.732227183e-01 -5.732227183e-01 4.18 -5.514671339e-01 -5.514671339e-01 4.20 -5.299302171e-01 -5.299302171e-01 4.22 -5.085841864e-01 -5.085841864e-01 4.24 -4.874159807e-01 -4.874159807e-01 4.26 -4.664279046e-01 -4.664279046e-01 4.28 -4.456377410e-01 -4.456377410e-01 4.30 -4.250782102e-01 -4.250782102e-01 4.32 -4.047957011e-01 -4.047957011e-01 4.34 -3.848482689e-01 -3.848482689e-01 4.36 -3.653029580e-01 -3.653029580e-01 4.38 -3.462325787e-01 -3.462325787e-01 4.40 -3.277121091e-01 -3.277121091e-01 4.42 -3.098149279e-01 -3.098149279e-01 4.44 -2.926090983e-01 -2.926090983e-01 4.46 -2.761539264e-01 -2.761539264e-01 4.48 -2.604970128e-01 -2.604970128e-01 4.50 -2.456719920e-01 -2.456719920e-01 4.52 -2.316971081e-01 -2.316971081e-01 4.54 -2.185747121e-01 -2.185747121e-01 4.56 -2.062916771e-01 -2.062916771e-01 4.58 -1.948206492e-01 -1.948206492e-01 4.60 -1.841219642e-01 -1.841219642e-01 4.62 -1.741460158e-01 -1.741460158e-01 4.64 -1.648358533e-01 -1.648358533e-01 4.66 -1.561298119e-01 -1.561298119e-01 4.68 -1.479640097e-01 -1.479640097e-01 4.70 -1.402745753e-01 -1.402745753e-01 4.72 -1.329993174e-01 -1.329993174e-01 4.74 -1.260798279e-01 -1.260798279e-01 4.76 -1.194625715e-01 -1.194625715e-01 4.78 -1.130995455e-01 -1.130995455e-01 4.80 -1.069495506e-01 -1.069495506e-01 4.82 -1.009782934e-01 -1.009782934e-01 4.84 -9.515870785e-02 -9.515870785e-02 4.86 -8.947116341e-02 -8.947116341e-02 4.88 -8.390342081e-02 -8.390342081e-02 4.90 -7.845036581e-02 -7.845036581e-02 4.92 -7.311350325e-02 -7.311350325e-02 4.94 -6.790020579e-02 -6.790020579e-02 4.96 -6.282272681e-02 -6.282272681e-02 4.98 -5.789700937e-02 -5.789700937e-02 5.00 -5.314134731e-02 -5.314134731e-02 5.02 -4.857497713e-02 -4.857497713e-02 5.04 -4.421669378e-02 -4.421669378e-02 5.06 -4.008358607e-02 -4.008358607e-02 5.08 -3.618997806e-02 -3.618997806e-02 5.10 -3.254664028e-02 -3.254664028e-02 5.12 -2.916030547e-02 -2.916030547e-02 5.14 -2.603349133e-02 -2.603349133e-02 5.16 -2.316460361e-02 -2.316460361e-02 5.18 -2.054826852e-02 -2.054826852e-02 5.20 -1.817583426e-02 -1.817583426e-02 5.22 -1.603597601e-02 -1.603597601e-02 5.24 -1.411534111e-02 -1.411534111e-02 5.26 -1.239916208e-02 -1.239916208e-02 5.28 -1.087160211e-02 -1.087160211e-02 5.30 -9.516934068e-03 -9.516934068e-03 5.32 -8.319613473e-03 -8.319613473e-03 5.34 -7.264478844e-03 -7.264478844e-03 5.36 -6.337032161e-03 -6.337032161e-03 5.38 -5.523632345e-03 -5.523632345e-03 5.40 -4.811615416e-03 -4.811615416e-03 5.42 -4.189355385e-03 -4.189355385e-03 5.44 -3.646279201e-03 -3.646279201e-03 5.46 -3.172847562e-03 -3.172847562e-03 5.48 -2.760511636e-03 -2.760511636e-03 5.50 -2.401653902e-03 -2.401653902e-03 5.52 -2.089519550e-03 -2.089519550e-03 5.54 -1.818143402e-03 -1.818143402e-03 5.56 -1.582275956e-03 -1.582275956e-03 5.58 -1.377311135e-03 -1.377311135e-03 5.60 -1.199217455e-03 -1.199217455e-03 5.62 -1.044473703e-03 -1.044473703e-03 5.64 -9.100096915e-04 -9.100096915e-04 5.66 -7.931523336e-04 -7.931523336e-04 5.68 -6.915770249e-04 -6.915770249e-04 5.70 -6.032641342e-04 -6.032641342e-04 5.72 -5.264603178e-04 -5.264603178e-04 5.74 -4.596442990e-04 -4.596442990e-04 5.76 -4.014967267e-04 -4.014967267e-04 5.78 -3.508737230e-04 -3.508737230e-04 5.80 -3.067837372e-04 -3.067837372e-04 5.82 -2.683673430e-04 -2.683673430e-04 5.84 -2.348796397e-04 -2.348796397e-04 5.86 -2.056749501e-04 -2.056749501e-04 5.88 -1.801935309e-04 -1.801935309e-04 5.90 -1.579500462e-04 -1.579500462e-04 5.92 -1.385235784e-04 -1.385235784e-04 5.94 -1.215489771e-04 -1.215489771e-04 5.96 -1.067093718e-04 -1.067093718e-04 5.98 -9.372969408e-05 -9.372969408e-05 6.00 -8.237107400e-05 -8.237107400e-05