# 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 = AgCu2Zr # 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 1.963873523e+02 1.963873523e+02 1.30 1.814861542e+02 1.814861542e+02 1.32 1.677079332e+02 1.677079332e+02 1.34 1.549642128e+02 1.549642128e+02 1.36 1.431739122e+02 1.431739122e+02 1.38 1.322625301e+02 1.322625301e+02 1.40 1.221615533e+02 1.221615533e+02 1.42 1.128078384e+02 1.128078384e+02 1.44 1.041428824e+02 1.041428824e+02 1.46 9.611244337e+01 9.611244337e+01 1.48 8.866662082e+01 8.866662082e+01 1.50 8.175988238e+01 8.175988238e+01 1.52 7.535072342e+01 7.535072342e+01 1.54 6.940105871e+01 6.940105871e+01 1.56 6.387569895e+01 6.387569895e+01 1.58 5.874227511e+01 5.874227511e+01 1.60 5.397144984e+01 5.397144984e+01 1.62 4.953702882e+01 4.953702882e+01 1.64 4.541569766e+01 4.541569766e+01 1.66 4.158646322e+01 4.158646322e+01 1.68 3.803004510e+01 3.803004510e+01 1.70 3.472859127e+01 3.472859127e+01 1.72 3.166571604e+01 3.166571604e+01 1.74 2.882537835e+01 2.882537835e+01 1.76 2.619253306e+01 2.619253306e+01 1.78 2.375365094e+01 2.375365094e+01 1.80 2.149473979e+01 2.149473979e+01 1.82 1.940259561e+01 1.940259561e+01 1.84 1.746479206e+01 1.746479206e+01 1.86 1.566970948e+01 1.566970948e+01 1.88 1.400659397e+01 1.400659397e+01 1.90 1.246563041e+01 1.246563041e+01 1.92 1.103792964e+01 1.103792964e+01 1.94 9.715455847e+00 9.715455847e+00 1.96 8.490884579e+00 8.490884579e+00 1.98 7.357514136e+00 7.357514136e+00 2.00 6.309209350e+00 6.309209350e+00 2.02 5.340343956e+00 5.340343956e+00 2.04 4.445727664e+00 4.445727664e+00 2.06 3.620517648e+00 3.620517648e+00 2.08 2.860129450e+00 2.860129450e+00 2.10 2.160174934e+00 2.160174934e+00 2.12 1.516450912e+00 1.516450912e+00 2.14 9.249564904e-01 9.249564904e-01 2.16 3.819362235e-01 3.819362235e-01 2.18 -1.161025414e-01 -1.161025414e-01 2.20 -5.723961667e-01 -5.723961667e-01 2.22 -9.899654320e-01 -9.899654320e-01 2.24 -1.371647354e+00 -1.371647354e+00 2.26 -1.720109053e+00 -1.720109053e+00 2.28 -2.037854802e+00 -2.037854802e+00 2.30 -2.327208097e+00 -2.327208097e+00 2.32 -2.590334253e+00 -2.590334253e+00 2.34 -2.829216295e+00 -2.829216295e+00 2.36 -3.045671666e+00 -3.045671666e+00 2.38 -3.241347696e+00 -3.241347696e+00 2.40 -3.417735316e+00 -3.417735316e+00 2.42 -3.576256874e+00 -3.576256874e+00 2.44 -3.718101419e+00 -3.718101419e+00 2.46 -3.844366596e+00 -3.844366596e+00 2.48 -3.956124543e+00 -3.956124543e+00 2.50 -4.054422468e+00 -4.054422468e+00 2.52 -4.140272601e+00 -4.140272601e+00 2.54 -4.214637450e+00 -4.214637450e+00 2.56 -4.278387427e+00 -4.278387427e+00 2.58 -4.332186242e+00 -4.332186242e+00 2.60 -4.376630520e+00 -4.376630520e+00 2.62 -4.412305037e+00 -4.412305037e+00 2.64 -4.439796561e+00 -4.439796561e+00 2.66 -4.459683461e+00 -4.459683461e+00 2.68 -4.472548773e+00 -4.472548773e+00 2.70 -4.478975057e+00 -4.478975057e+00 2.72 -4.479537398e+00 -4.479537398e+00 2.74 -4.474791568e+00 -4.474791568e+00 2.76 -4.465259076e+00 -4.465259076e+00 2.78 -4.451410426e+00 -4.451410426e+00 2.80 -4.433664407e+00 -4.433664407e+00 2.82 -4.412371031e+00 -4.412371031e+00 2.84 -4.388002357e+00 -4.388002357e+00 2.86 -4.360998320e+00 -4.360998320e+00 2.88 -4.331272960e+00 -4.331272960e+00 2.90 -4.298777501e+00 -4.298777501e+00 2.92 -4.263515167e+00 -4.263515167e+00 2.94 -4.225536870e+00 -4.225536870e+00 2.96 -4.184935495e+00 -4.184935495e+00 2.98 -4.141897385e+00 -4.141897385e+00 3.00 -4.096602696e+00 -4.096602696e+00 3.02 -4.049139524e+00 -4.049139524e+00 3.04 -3.999643322e+00 -3.999643322e+00 3.06 -3.948289328e+00 -3.948289328e+00 3.08 -3.895249883e+00 -3.895249883e+00 3.10 -3.840695768e+00 -3.840695768e+00 3.12 -3.784785726e+00 -3.784785726e+00 3.14 -3.727671119e+00 -3.727671119e+00 3.16 -3.669482935e+00 -3.669482935e+00 3.18 -3.610339358e+00 -3.610339358e+00 3.20 -3.550338792e+00 -3.550338792e+00 3.22 -3.489562715e+00 -3.489562715e+00 3.24 -3.428080617e+00 -3.428080617e+00 3.26 -3.365956232e+00 -3.365956232e+00 3.28 -3.303253948e+00 -3.303253948e+00 3.30 -3.240043946e+00 -3.240043946e+00 3.32 -3.176404902e+00 -3.176404902e+00 3.34 -3.112423819e+00 -3.112423819e+00 3.36 -3.048193560e+00 -3.048193560e+00 3.38 -2.983809328e+00 -2.983809328e+00 3.40 -2.919364296e+00 -2.919364296e+00 3.42 -2.854952196e+00 -2.854952196e+00 3.44 -2.790658869e+00 -2.790658869e+00 3.46 -2.726567494e+00 -2.726567494e+00 3.48 -2.662757239e+00 -2.662757239e+00 3.50 -2.599303114e+00 -2.599303114e+00 3.52 -2.536275428e+00 -2.536275428e+00 3.54 -2.473738925e+00 -2.473738925e+00 3.56 -2.411751801e+00 -2.411751801e+00 3.58 -2.350364878e+00 -2.350364878e+00 3.60 -2.289621120e+00 -2.289621120e+00 3.62 -2.229555659e+00 -2.229555659e+00 3.64 -2.170196408e+00 -2.170196408e+00 3.66 -2.111565302e+00 -2.111565302e+00 3.68 -2.053680139e+00 -2.053680139e+00 3.70 -1.996556962e+00 -1.996556962e+00 3.72 -1.940212843e+00 -1.940212843e+00 3.74 -1.884668861e+00 -1.884668861e+00 3.76 -1.829952971e+00 -1.829952971e+00 3.78 -1.776102360e+00 -1.776102360e+00 3.80 -1.723164841e+00 -1.723164841e+00 3.82 -1.671198848e+00 -1.671198848e+00 3.84 -1.620271703e+00 -1.620271703e+00 3.86 -1.570456075e+00 -1.570456075e+00 3.88 -1.521824895e+00 -1.521824895e+00 3.90 -1.474445328e+00 -1.474445328e+00 3.92 -1.428371318e+00 -1.428371318e+00 3.94 -1.383644241e+00 -1.383644241e+00 3.96 -1.340280257e+00 -1.340280257e+00 3.98 -1.298275502e+00 -1.298275502e+00 4.00 -1.257605193e+00 -1.257605193e+00 4.02 -1.218226230e+00 -1.218226230e+00 4.04 -1.180080920e+00 -1.180080920e+00 4.06 -1.143101175e+00 -1.143101175e+00 4.08 -1.107212629e+00 -1.107212629e+00 4.10 -1.072334480e+00 -1.072334480e+00 4.12 -1.038398569e+00 -1.038398569e+00 4.14 -1.005326502e+00 -1.005326502e+00 4.16 -9.730493281e-01 -9.730493281e-01 4.18 -9.415042434e-01 -9.415042434e-01 4.20 -9.106357374e-01 -9.106357374e-01 4.22 -8.803965529e-01 -8.803965529e-01 4.24 -8.507485198e-01 -8.507485198e-01 4.26 -8.216632794e-01 -8.216632794e-01 4.28 -7.931228744e-01 -7.931228744e-01 4.30 -7.651201398e-01 -7.651201398e-01 4.32 -7.376588065e-01 -7.376588065e-01 4.34 -7.107532169e-01 -7.107532169e-01 4.36 -6.844275610e-01 -6.844275610e-01 4.38 -6.587145639e-01 -6.587145639e-01 4.40 -6.336536042e-01 -6.336536042e-01 4.42 -6.092883069e-01 -6.092883069e-01 4.44 -5.856637262e-01 -5.856637262e-01 4.46 -5.628233086e-01 -5.628233086e-01 4.48 -5.408058815e-01 -5.408058815e-01 4.50 -5.196429377e-01 -5.196429377e-01 4.52 -4.993564648e-01 -4.993564648e-01 4.54 -4.799575106e-01 -4.799575106e-01 4.56 -4.614455811e-01 -4.614455811e-01 4.58 -4.438088641e-01 -4.438088641e-01 4.60 -4.270251729e-01 -4.270251729e-01 4.62 -4.110634389e-01 -4.110634389e-01 4.64 -3.958855463e-01 -3.958855463e-01 4.66 -3.814483040e-01 -3.814483040e-01 4.68 -3.677053797e-01 -3.677053797e-01 4.70 -3.546090682e-01 -3.546090682e-01 4.72 -3.421118003e-01 -3.421118003e-01 4.74 -3.301671305e-01 -3.301671305e-01 4.76 -3.187313225e-01 -3.187313225e-01 4.78 -3.077637199e-01 -3.077637199e-01 4.80 -2.972238508e-01 -2.972238508e-01 4.82 -2.870850012e-01 -2.870850012e-01 4.84 -2.773135716e-01 -2.773135716e-01 4.86 -2.678836300e-01 -2.678836300e-01 4.88 -2.587729791e-01 -2.587729791e-01 4.90 -2.499629693e-01 -2.499629693e-01 4.92 -2.414382323e-01 -2.414382323e-01 4.94 -2.331863471e-01 -2.331863471e-01 4.96 -2.251974422e-01 -2.251974422e-01 4.98 -2.174637488e-01 -2.174637488e-01 5.00 -2.099791163e-01 -2.099791163e-01 5.02 -2.027385128e-01 -2.027385128e-01 5.04 -1.957375332e-01 -1.957375332e-01 5.06 -1.889719432e-01 -1.889719432e-01 5.08 -1.824372832e-01 -1.824372832e-01 5.10 -1.761285555e-01 -1.761285555e-01 5.12 -1.700400082e-01 -1.700400082e-01 5.14 -1.641650233e-01 -1.641650233e-01 5.16 -1.584961047e-01 -1.584961047e-01 5.18 -1.530249575e-01 -1.530249575e-01 5.20 -1.477426423e-01 -1.477426423e-01 5.22 -1.426397849e-01 -1.426397849e-01 5.24 -1.377068230e-01 -1.377068230e-01 5.26 -1.329342707e-01 -1.329342707e-01 5.28 -1.283129848e-01 -1.283129848e-01 5.30 -1.238344176e-01 -1.238344176e-01 5.32 -1.194908446e-01 -1.194908446e-01 5.34 -1.152755559e-01 -1.152755559e-01 5.36 -1.111830007e-01 -1.111830007e-01 5.38 -1.072088755e-01 -1.072088755e-01 5.40 -1.033501478e-01 -1.033501478e-01 5.42 -9.960500968e-02 -9.960500968e-02 5.44 -9.597275924e-02 -9.597275924e-02 5.46 -9.245361304e-02 -9.245361304e-02 5.48 -8.904845938e-02 -8.904845938e-02 5.50 -8.575856965e-02 -8.575856965e-02 5.52 -8.258529018e-02 -8.258529018e-02 5.54 -7.952973924e-02 -7.952973924e-02 5.56 -7.659253494e-02 -7.659253494e-02 5.58 -7.377357593e-02 -7.377357593e-02 5.60 -7.107176558e-02 -7.107176558e-02 5.62 -6.848511838e-02 -6.848511838e-02 5.64 -6.601088584e-02 -6.601088584e-02 5.66 -6.364538653e-02 -6.364538653e-02 5.68 -6.138412339e-02 -6.138412339e-02 5.70 -5.922193383e-02 -5.922193383e-02 5.72 -5.715315445e-02 -5.715315445e-02 5.74 -5.517178484e-02 -5.517178484e-02 5.76 -5.327163941e-02 -5.327163941e-02 5.78 -5.144647946e-02 -5.144647946e-02 5.80 -4.969012189e-02 -4.969012189e-02 5.82 -4.799652379e-02 -4.799652379e-02 5.84 -4.635984468e-02 -4.635984468e-02 5.86 -4.477448917e-02 -4.477448917e-02 5.88 -4.323513425e-02 -4.323513425e-02 5.90 -4.173674508e-02 -4.173674508e-02 5.92 -4.027458348e-02 -4.027458348e-02 5.94 -3.884421265e-02 -3.884421265e-02 5.96 -3.744150152e-02 -3.744150152e-02 5.98 -3.606263125e-02 -3.606263125e-02 6.00 -3.470410611e-02 -3.470410611e-02