# 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 = AlCuTa2 # 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 2.169075038e+02 2.169075038e+02 1.30 2.009726749e+02 2.009726749e+02 1.32 1.862193400e+02 1.862193400e+02 1.34 1.725525692e+02 1.725525692e+02 1.36 1.598855287e+02 1.598855287e+02 1.38 1.481392907e+02 1.481392907e+02 1.40 1.372421462e+02 1.372421462e+02 1.42 1.271286024e+02 1.271286024e+02 1.44 1.177381391e+02 1.177381391e+02 1.46 1.090141452e+02 1.090141452e+02 1.48 1.009034858e+02 1.009034858e+02 1.50 9.335656756e+01 9.335656756e+01 1.52 8.632747066e+01 8.632747066e+01 1.54 7.977401720e+01 7.977401720e+01 1.56 7.365791629e+01 7.365791629e+01 1.58 6.794500883e+01 6.794500883e+01 1.60 6.260542064e+01 6.260542064e+01 1.62 5.761339382e+01 5.761339382e+01 1.64 5.294672553e+01 5.294672553e+01 1.66 4.858596624e+01 4.858596624e+01 1.68 4.451362550e+01 4.451362550e+01 1.70 4.071353815e+01 4.071353815e+01 1.72 3.717039460e+01 3.717039460e+01 1.74 3.386938768e+01 3.386938768e+01 1.76 3.079597656e+01 3.079597656e+01 1.78 2.793581176e+01 2.793581176e+01 1.80 2.528014181e+01 2.528014181e+01 1.82 2.281963065e+01 2.281963065e+01 1.84 2.054063053e+01 2.054063053e+01 1.86 1.843034538e+01 1.843034538e+01 1.88 1.647678856e+01 1.647678856e+01 1.90 1.466917213e+01 1.466917213e+01 1.92 1.299813283e+01 1.299813283e+01 1.94 1.145341717e+01 1.145341717e+01 1.96 1.002516535e+01 1.002516535e+01 1.98 8.704069663e+00 8.704069663e+00 2.00 7.481473195e+00 7.481473195e+00 2.02 6.349450810e+00 6.349450810e+00 2.04 5.300860139e+00 5.300860139e+00 2.06 4.329359794e+00 4.329359794e+00 2.08 3.429388137e+00 3.429388137e+00 2.10 2.596098166e+00 2.596098166e+00 2.12 1.825256074e+00 1.825256074e+00 2.14 1.113122151e+00 1.113122151e+00 2.16 4.563347093e-01 4.563347093e-01 2.18 -1.481891970e-01 -1.481891970e-01 2.20 -7.033327898e-01 -7.033327898e-01 2.22 -1.211843060e+00 -1.211843060e+00 2.24 -1.676386160e+00 -1.676386160e+00 2.26 -2.099599234e+00 -2.099599234e+00 2.28 -2.484136783e+00 -2.484136783e+00 2.30 -2.832702734e+00 -2.832702734e+00 2.32 -3.148055942e+00 -3.148055942e+00 2.34 -3.432979646e+00 -3.432979646e+00 2.36 -3.690216030e+00 -3.690216030e+00 2.38 -3.922380084e+00 -3.922380084e+00 2.40 -4.131875760e+00 -4.131875760e+00 2.42 -4.320836220e+00 -4.320836220e+00 2.44 -4.491100241e+00 -4.491100241e+00 2.46 -4.644224386e+00 -4.644224386e+00 2.48 -4.781359599e+00 -4.781359599e+00 2.50 -4.903624044e+00 -4.903624044e+00 2.52 -5.012244943e+00 -5.012244943e+00 2.54 -5.108301182e+00 -5.108301182e+00 2.56 -5.192779734e+00 -5.192779734e+00 2.58 -5.266616890e+00 -5.266616890e+00 2.60 -5.330720498e+00 -5.330720498e+00 2.62 -5.385966468e+00 -5.385966468e+00 2.64 -5.432967303e+00 -5.432967303e+00 2.66 -5.472050246e+00 -5.472050246e+00 2.68 -5.503567191e+00 -5.503567191e+00 2.70 -5.527878090e+00 -5.527878090e+00 2.72 -5.545322204e+00 -5.545322204e+00 2.74 -5.556201493e+00 -5.556201493e+00 2.76 -5.560773280e+00 -5.560773280e+00 2.78 -5.559249543e+00 -5.559249543e+00 2.80 -5.551801172e+00 -5.551801172e+00 2.82 -5.538566016e+00 -5.538566016e+00 2.84 -5.519659614e+00 -5.519659614e+00 2.86 -5.495187088e+00 -5.495187088e+00 2.88 -5.465254633e+00 -5.465254633e+00 2.90 -5.429979283e+00 -5.429979283e+00 2.92 -5.389496083e+00 -5.389496083e+00 2.94 -5.343962331e+00 -5.343962331e+00 2.96 -5.293558953e+00 -5.293558953e+00 2.98 -5.238489356e+00 -5.238489356e+00 3.00 -5.179365149e+00 -5.179365149e+00 3.02 -5.116917547e+00 -5.116917547e+00 3.04 -5.051022475e+00 -5.051022475e+00 3.06 -4.981593242e+00 -4.981593242e+00 3.08 -4.908592271e+00 -4.908592271e+00 3.10 -4.832022291e+00 -4.832022291e+00 3.12 -4.751920404e+00 -4.751920404e+00 3.14 -4.668355687e+00 -4.668355687e+00 3.16 -4.581430876e+00 -4.581430876e+00 3.18 -4.491294414e+00 -4.491294414e+00 3.20 -4.398151913e+00 -4.398151913e+00 3.22 -4.302271357e+00 -4.302271357e+00 3.24 -4.203976648e+00 -4.203976648e+00 3.26 -4.103648239e+00 -4.103648239e+00 3.28 -4.001720749e+00 -4.001720749e+00 3.30 -3.898673714e+00 -3.898673714e+00 3.32 -3.795015569e+00 -3.795015569e+00 3.34 -3.691262132e+00 -3.691262132e+00 3.36 -3.587911908e+00 -3.587911908e+00 3.38 -3.485421127e+00 -3.485421127e+00 3.40 -3.384181544e+00 -3.384181544e+00 3.42 -3.284503503e+00 -3.284503503e+00 3.44 -3.186605846e+00 -3.186605846e+00 3.46 -3.090613157e+00 -3.090613157e+00 3.48 -2.996559785e+00 -2.996559785e+00 3.50 -2.904399376e+00 -2.904399376e+00 3.52 -2.814018266e+00 -2.814018266e+00 3.54 -2.725251103e+00 -2.725251103e+00 3.56 -2.637897291e+00 -2.637897291e+00 3.58 -2.551737248e+00 -2.551737248e+00 3.60 -2.466547841e+00 -2.466547841e+00 3.62 -2.382116687e+00 -2.382116687e+00 3.64 -2.298255192e+00 -2.298255192e+00 3.66 -2.214810269e+00 -2.214810269e+00 3.68 -2.131674664e+00 -2.131674664e+00 3.70 -2.048795640e+00 -2.048795640e+00 3.72 -1.966181667e+00 -1.966181667e+00 3.74 -1.883906576e+00 -1.883906576e+00 3.76 -1.802110586e+00 -1.802110586e+00 3.78 -1.720997619e+00 -1.720997619e+00 3.80 -1.640828526e+00 -1.640828526e+00 3.82 -1.561910149e+00 -1.561910149e+00 3.84 -1.484580641e+00 -1.484580641e+00 3.86 -1.409191932e+00 -1.409191932e+00 3.88 -1.336090729e+00 -1.336090729e+00 3.90 -1.265599690e+00 -1.265599690e+00 3.92 -1.198000487e+00 -1.198000487e+00 3.94 -1.133520269e+00 -1.133520269e+00 3.96 -1.072322489e+00 -1.072322489e+00 3.98 -1.014502616e+00 -1.014502616e+00 4.00 -9.600885267e-01 -9.600885267e-01 4.02 -9.090449482e-01 -9.090449482e-01 4.04 -8.612810043e-01 -8.612810043e-01 4.06 -8.166597713e-01 -8.166597713e-01 4.08 -7.750088121e-01 -7.750088121e-01 4.10 -7.361307917e-01 -7.361307917e-01 4.12 -6.998135869e-01 -6.998135869e-01 4.14 -6.658392507e-01 -6.658392507e-01 4.16 -6.339918555e-01 -6.339918555e-01 4.18 -6.040639081e-01 -6.040639081e-01 4.20 -5.758614258e-01 -5.758614258e-01 4.22 -5.492077114e-01 -5.492077114e-01 4.24 -5.239459068e-01 -5.239459068e-01 4.26 -4.999404043e-01 -4.999404043e-01 4.28 -4.770772024e-01 -4.770772024e-01 4.30 -4.552632949e-01 -4.552632949e-01 4.32 -4.344252161e-01 -4.344252161e-01 4.34 -4.145068738e-01 -4.145068738e-01 4.36 -3.954668351e-01 -3.954668351e-01 4.38 -3.772752617e-01 -3.772752617e-01 4.40 -3.599107113e-01 -3.599107113e-01 4.42 -3.433569659e-01 -3.433569659e-01 4.44 -3.276000314e-01 -3.276000314e-01 4.46 -3.126252770e-01 -3.126252770e-01 4.48 -2.984158637e-01 -2.984158637e-01 4.50 -2.849507031e-01 -2.849507031e-01 4.52 -2.722032399e-01 -2.722032399e-01 4.54 -2.601409707e-01 -2.601409707e-01 4.56 -2.487254930e-01 -2.487254930e-01 4.58 -2.379130244e-01 -2.379130244e-01 4.60 -2.276552966e-01 -2.276552966e-01 4.62 -2.179007124e-01 -2.179007124e-01 4.64 -2.085956438e-01 -2.085956438e-01 4.66 -1.996856117e-01 -1.996856117e-01 4.68 -1.911170260e-01 -1.911170260e-01 4.70 -1.828382151e-01 -1.828382151e-01 4.72 -1.748004184e-01 -1.748004184e-01 4.74 -1.669588208e-01 -1.669588208e-01 4.76 -1.592734630e-01 -1.592734630e-01 4.78 -1.517100427e-01 -1.517100427e-01 4.80 -1.442406058e-01 -1.442406058e-01 4.82 -1.368441597e-01 -1.368441597e-01 4.84 -1.295070967e-01 -1.295070967e-01 4.86 -1.222235146e-01 -1.222235146e-01 4.88 -1.149952929e-01 -1.149952929e-01 4.90 -1.078319123e-01 -1.078319123e-01 4.92 -1.007499640e-01 -1.007499640e-01 4.94 -9.377232350e-02 -9.377232350e-02 4.96 -8.692698612e-02 -8.692698612e-02 4.98 -8.024560320e-02 -8.024560320e-02 5.00 -7.376179244e-02 -7.376179244e-02 5.02 -6.750933187e-02 -6.750933187e-02 5.04 -6.152036807e-02 -6.152036807e-02 5.06 -5.582377482e-02 -5.582377482e-02 5.08 -5.044378576e-02 -5.044378576e-02 5.10 -4.539899016e-02 -4.539899016e-02 5.12 -4.070173771e-02 -4.070173771e-02 5.14 -3.635797822e-02 -3.635797822e-02 5.16 -3.236747646e-02 -3.236747646e-02 5.18 -2.872435039e-02 -2.872435039e-02 5.20 -2.541782526e-02 -2.541782526e-02 5.22 -2.243312121e-02 -2.243312121e-02 5.24 -1.975240185e-02 -1.975240185e-02 5.26 -1.735568164e-02 -1.735568164e-02 5.28 -1.522134747e-02 -1.522134747e-02 5.30 -1.332776256e-02 -1.332776256e-02 5.32 -1.165348004e-02 -1.165348004e-02 5.34 -1.017752085e-02 -1.017752085e-02 5.36 -8.879779878e-03 -8.879779878e-03 5.38 -7.741307909e-03 -7.741307909e-03 5.40 -6.744488934e-03 -6.744488934e-03 5.42 -5.873132823e-03 -5.873132823e-03 5.44 -5.112502207e-03 -5.112502207e-03 5.46 -4.449290403e-03 -4.449290403e-03 5.48 -3.871564625e-03 -3.871564625e-03 5.50 -3.368686148e-03 -3.368686148e-03 5.52 -2.931216624e-03 -2.931216624e-03 5.54 -2.550817587e-03 -2.550817587e-03 5.56 -2.220148332e-03 -2.220148332e-03 5.58 -1.932765841e-03 -1.932765841e-03 5.60 -1.683029260e-03 -1.683029260e-03 5.62 -1.466010459e-03 -1.466010459e-03 5.64 -1.277411576e-03 -1.277411576e-03 5.66 -1.113489878e-03 -1.113489878e-03 5.68 -9.709899554e-04 -9.709899554e-04 5.70 -8.470830076e-04 -8.470830076e-04 5.72 -7.393128272e-04 -7.393128272e-04 5.74 -6.455479934e-04 -6.455479934e-04 5.76 -5.639397483e-04 -5.639397483e-04 5.78 -4.928850147e-04 -4.928850147e-04 5.80 -4.309940264e-04 -4.309940264e-04 5.82 -3.770620663e-04 -3.770620663e-04 5.84 -3.300448425e-04 -3.300448425e-04 5.86 -2.890370712e-04 -2.890370712e-04 5.88 -2.532538750e-04 -2.532538750e-04 5.90 -2.220146443e-04 -2.220146443e-04 5.92 -1.947290499e-04 -1.947290499e-04 5.94 -1.708849270e-04 -1.708849270e-04 5.96 -1.500377882e-04 -1.500377882e-04 5.98 -1.318017481e-04 -1.318017481e-04 6.00 -1.158416738e-04 -1.158416738e-04