# 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 = AgFe2W # 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 2.853749359e+02 2.853749359e+02 1.30 2.616791096e+02 2.616791096e+02 1.32 2.399173834e+02 2.399173834e+02 1.34 2.199216148e+02 2.199216148e+02 1.36 2.015392348e+02 2.015392348e+02 1.38 1.846318020e+02 1.846318020e+02 1.40 1.690740634e+02 1.690740634e+02 1.42 1.547534081e+02 1.547534081e+02 1.44 1.415691965e+02 1.415691965e+02 1.46 1.294315841e+02 1.294315841e+02 1.48 1.182599667e+02 1.182599667e+02 1.50 1.079813642e+02 1.079813642e+02 1.52 9.852892514e+01 9.852892514e+01 1.54 8.984066987e+01 8.984066987e+01 1.56 8.185861883e+01 8.185861883e+01 1.58 7.452835166e+01 7.452835166e+01 1.60 6.779884966e+01 6.779884966e+01 1.62 6.162241497e+01 6.162241497e+01 1.64 5.595455417e+01 5.595455417e+01 1.66 5.075382834e+01 5.075382834e+01 1.68 4.598171341e+01 4.598171341e+01 1.70 4.160289190e+01 4.160289190e+01 1.72 3.758491222e+01 3.758491222e+01 1.74 3.389724700e+01 3.389724700e+01 1.76 3.051238196e+01 3.051238196e+01 1.78 2.740548921e+01 2.740548921e+01 1.80 2.455262946e+01 2.455262946e+01 1.82 2.193203997e+01 2.193203997e+01 1.84 1.952422361e+01 1.952422361e+01 1.86 1.731193460e+01 1.731193460e+01 1.88 1.528001964e+01 1.528001964e+01 1.90 1.341510401e+01 1.341510401e+01 1.92 1.170517997e+01 1.170517997e+01 1.94 1.013919415e+01 1.013919415e+01 1.96 8.706722827e+00 8.706722827e+00 1.98 7.397781249e+00 7.397781249e+00 2.00 6.202761838e+00 6.202761838e+00 2.02 5.112461396e+00 5.112461396e+00 2.04 4.118146172e+00 4.118146172e+00 2.06 3.211611566e+00 3.211611566e+00 2.08 2.385213554e+00 2.385213554e+00 2.10 1.631872278e+00 1.631872278e+00 2.12 9.450632266e-01 9.450632266e-01 2.14 3.188117920e-01 3.188117920e-01 2.16 -2.523036024e-01 -2.523036024e-01 2.18 -7.731469254e-01 -7.731469254e-01 2.20 -1.248031450e+00 -1.248031450e+00 2.22 -1.680675210e+00 -1.680675210e+00 2.24 -2.074369218e+00 -2.074369218e+00 2.26 -2.432232200e+00 -2.432232200e+00 2.28 -2.756992522e+00 -2.756992522e+00 2.30 -3.051066618e+00 -3.051066618e+00 2.32 -3.316631610e+00 -3.316631610e+00 2.34 -3.555631829e+00 -3.555631829e+00 2.36 -3.769510948e+00 -3.769510948e+00 2.38 -3.959559259e+00 -3.959559259e+00 2.40 -4.127114509e+00 -4.127114509e+00 2.42 -4.273529151e+00 -4.273529151e+00 2.44 -4.400148380e+00 -4.400148380e+00 2.46 -4.508297022e+00 -4.508297022e+00 2.48 -4.599271931e+00 -4.599271931e+00 2.50 -4.674336847e+00 -4.674336847e+00 2.52 -4.734717336e+00 -4.734717336e+00 2.54 -4.781594526e+00 -4.781594526e+00 2.56 -4.816097570e+00 -4.816097570e+00 2.58 -4.839295405e+00 -4.839295405e+00 2.60 -4.852188398e+00 -4.852188398e+00 2.62 -4.855700218e+00 -4.855700218e+00 2.64 -4.850670499e+00 -4.850670499e+00 2.66 -4.837849462e+00 -4.837849462e+00 2.68 -4.817896147e+00 -4.817896147e+00 2.70 -4.791381468e+00 -4.791381468e+00 2.72 -4.758796968e+00 -4.758796968e+00 2.74 -4.720572758e+00 -4.720572758e+00 2.76 -4.677067746e+00 -4.677067746e+00 2.78 -4.628598115e+00 -4.628598115e+00 2.80 -4.575497351e+00 -4.575497351e+00 2.82 -4.518160299e+00 -4.518160299e+00 2.84 -4.456608609e+00 -4.456608609e+00 2.86 -4.390847115e+00 -4.390847115e+00 2.88 -4.320853715e+00 -4.320853715e+00 2.90 -4.246383153e+00 -4.246383153e+00 2.92 -4.167253791e+00 -4.167253791e+00 2.94 -4.083450327e+00 -4.083450327e+00 2.96 -3.995080022e+00 -3.995080022e+00 2.98 -3.902355078e+00 -3.902355078e+00 3.00 -3.805576379e+00 -3.805576379e+00 3.02 -3.705114430e+00 -3.705114430e+00 3.04 -3.601387976e+00 -3.601387976e+00 3.06 -3.494841440e+00 -3.494841440e+00 3.08 -3.385923026e+00 -3.385923026e+00 3.10 -3.275065818e+00 -3.275065818e+00 3.12 -3.162674136e+00 -3.162674136e+00 3.14 -3.049116785e+00 -3.049116785e+00 3.16 -2.934727638e+00 -2.934727638e+00 3.18 -2.819812573e+00 -2.819812573e+00 3.20 -2.704660564e+00 -2.704660564e+00 3.22 -2.589556073e+00 -2.589556073e+00 3.24 -2.474789935e+00 -2.474789935e+00 3.26 -2.360666660e+00 -2.360666660e+00 3.28 -2.247507102e+00 -2.247507102e+00 3.30 -2.135646662e+00 -2.135646662e+00 3.32 -2.025430089e+00 -2.025430089e+00 3.34 -1.917204508e+00 -1.917204508e+00 3.36 -1.811312299e+00 -1.811312299e+00 3.38 -1.708085048e+00 -1.708085048e+00 3.40 -1.607839064e+00 -1.607839064e+00 3.42 -1.510872236e+00 -1.510872236e+00 3.44 -1.417461459e+00 -1.417461459e+00 3.46 -1.327859704e+00 -1.327859704e+00 3.48 -1.242292023e+00 -1.242292023e+00 3.50 -1.160950264e+00 -1.160950264e+00 3.52 -1.083986869e+00 -1.083986869e+00 3.54 -1.011508587e+00 -1.011508587e+00 3.56 -9.435711783e-01 -9.435711783e-01 3.58 -8.801761238e-01 -8.801761238e-01 3.60 -8.212700212e-01 -8.212700212e-01 3.62 -7.667469394e-01 -7.667469394e-01 3.64 -7.164535165e-01 -7.164535165e-01 3.66 -6.701962356e-01 -6.701962356e-01 3.68 -6.277500954e-01 -6.277500954e-01 3.70 -5.888678371e-01 -5.888678371e-01 3.72 -5.532889802e-01 -5.532889802e-01 3.74 -5.207480561e-01 -5.207480561e-01 3.76 -4.909813709e-01 -4.909813709e-01 3.78 -4.637335520e-01 -4.637335520e-01 3.80 -4.387613463e-01 -4.387613463e-01 3.82 -4.158364009e-01 -4.158364009e-01 3.84 -3.947471496e-01 -3.947471496e-01 3.86 -3.752996979e-01 -3.752996979e-01 3.88 -3.573179280e-01 -3.573179280e-01 3.90 -3.406430299e-01 -3.406430299e-01 3.92 -3.251326348e-01 -3.251326348e-01 3.94 -3.106596985e-01 -3.106596985e-01 3.96 -2.971112469e-01 -2.971112469e-01 3.98 -2.843870808e-01 -2.843870808e-01 4.00 -2.723985003e-01 -2.723985003e-01 4.02 -2.610670987e-01 -2.610670987e-01 4.04 -2.503236576e-01 -2.503236576e-01 4.06 -2.401071637e-01 -2.401071637e-01 4.08 -2.303639584e-01 -2.303639584e-01 4.10 -2.210470220e-01 -2.210470220e-01 4.12 -2.121153965e-01 -2.121153965e-01 4.14 -2.035337172e-01 -2.035337172e-01 4.16 -1.952718621e-01 -1.952718621e-01 4.18 -1.873046723e-01 -1.873046723e-01 4.20 -1.796117202e-01 -1.796117202e-01 4.22 -1.721770832e-01 -1.721770832e-01 4.24 -1.649890797e-01 -1.649890797e-01 4.26 -1.580399242e-01 -1.580399242e-01 4.28 -1.513252674e-01 -1.513252674e-01 4.30 -1.448435999e-01 -1.448435999e-01 4.32 -1.385955234e-01 -1.385955234e-01 4.34 -1.325829171e-01 -1.325829171e-01 4.36 -1.268080517e-01 -1.268080517e-01 4.38 -1.212727239e-01 -1.212727239e-01 4.40 -1.159774864e-01 -1.159774864e-01 4.42 -1.109210437e-01 -1.109210437e-01 4.44 -1.060998590e-01 -1.060998590e-01 4.46 -1.015079510e-01 -1.015079510e-01 4.48 -9.713684401e-02 -9.713684401e-02 4.50 -9.297625812e-02 -9.297625812e-02 4.52 -8.901414463e-02 -8.901414463e-02 4.54 -8.523707907e-02 -8.523707907e-02 4.56 -8.163073283e-02 -8.163073283e-02 4.58 -7.818031892e-02 -7.818031892e-02 4.60 -7.487098537e-02 -7.487098537e-02 4.62 -7.168814362e-02 -7.168814362e-02 4.64 -6.861773086e-02 -6.861773086e-02 4.66 -6.564641349e-02 -6.564641349e-02 4.68 -6.276174348e-02 -6.276174348e-02 4.70 -5.995228110e-02 -5.995228110e-02 4.72 -5.720769745e-02 -5.720769745e-02 4.74 -5.451886777e-02 -5.451886777e-02 4.76 -5.187796372e-02 -5.187796372e-02 4.78 -4.927854880e-02 -4.927854880e-02 4.80 -4.671567638e-02 -4.671567638e-02 4.82 -4.418598947e-02 -4.418598947e-02 4.84 -4.168780445e-02 -4.168780445e-02 4.86 -3.922117873e-02 -3.922117873e-02 4.88 -3.678793751e-02 -3.678793751e-02 4.90 -3.439164719e-02 -3.439164719e-02 4.92 -3.203752008e-02 -3.203752008e-02 4.94 -2.973223764e-02 -2.973223764e-02 4.96 -2.748368700e-02 -2.748368700e-02 4.98 -2.530061817e-02 -2.530061817e-02 5.00 -2.319223225e-02 -2.319223225e-02 5.02 -2.116772546e-02 -2.116772546e-02 5.04 -1.923582068e-02 -1.923582068e-02 5.06 -1.740432221e-02 -1.740432221e-02 5.08 -1.567954133e-02 -1.567954133e-02 5.10 -1.406603521e-02 -1.406603521e-02 5.12 -1.256716512e-02 -1.256716512e-02 5.14 -1.118437159e-02 -1.118437159e-02 5.16 -9.917188244e-03 -9.917188244e-03 5.18 -8.763389160e-03 -8.763389160e-03 5.20 -7.719212040e-03 -7.719212040e-03 5.22 -6.779630381e-03 -6.779630381e-03 5.24 -5.938647959e-03 -5.938647959e-03 5.26 -5.189592325e-03 -5.189592325e-03 5.28 -4.525388945e-03 -4.525388945e-03 5.30 -3.938803380e-03 -3.938803380e-03 5.32 -3.422644351e-03 -3.422644351e-03 5.34 -2.969925242e-03 -2.969925242e-03 5.36 -2.573985175e-03 -2.573985175e-03 5.38 -2.228573245e-03 -2.228573245e-03 5.40 -1.927900927e-03 -1.927900927e-03 5.42 -1.666668211e-03 -1.666668211e-03 5.44 -1.440069044e-03 -1.440069044e-03 5.46 -1.243781190e-03 -1.243781190e-03 5.48 -1.073944978e-03 -1.073944978e-03 5.50 -9.271346960e-04 -9.271346960e-04 5.52 -8.003256065e-04 -8.003256065e-04 5.54 -6.908589112e-04 -6.908589112e-04 5.56 -5.964063853e-04 -5.964063853e-04 5.58 -5.149359049e-04 -5.149359049e-04 5.60 -4.446786931e-04 -4.446786931e-04 5.62 -3.840987968e-04 -3.840987968e-04 5.64 -3.318650711e-04 -3.318650711e-04 5.66 -2.868257734e-04 -2.868257734e-04 5.68 -2.479857499e-04 -2.479857499e-04 5.70 -2.144861130e-04 -2.144861130e-04 5.72 -1.855862573e-04 -1.855862573e-04 5.74 -1.606480323e-04 -1.606480323e-04 5.76 -1.391218770e-04 -1.391218770e-04 5.78 -1.205347193e-04 -1.205347193e-04 5.80 -1.044794494e-04 -1.044794494e-04 5.82 -9.060578698e-05 -9.060578698e-05 5.84 -7.861237540e-05 -7.861237540e-05 5.86 -6.823995017e-05 -6.823995017e-05 5.88 -5.926544512e-05 -5.926544512e-05 5.90 -5.149691382e-05 -5.149691382e-05 5.92 -4.476915793e-05 -4.476915793e-05 5.94 -3.893996695e-05 -3.893996695e-05 5.96 -3.388688618e-05 -3.388688618e-05 5.98 -2.950443979e-05 -2.950443979e-05 6.00 -2.570174592e-05 -2.570174592e-05