# 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 = AuCuZr2 # 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 3.193431388e+02 3.193431388e+02 1.30 2.968470972e+02 2.968470972e+02 1.32 2.759836192e+02 2.759836192e+02 1.34 2.566254725e+02 2.566254725e+02 1.36 2.386547079e+02 2.386547079e+02 1.38 2.219630849e+02 2.219630849e+02 1.40 2.064517065e+02 2.064517065e+02 1.42 1.920299194e+02 1.920299194e+02 1.44 1.786141606e+02 1.786141606e+02 1.46 1.661270259e+02 1.661270259e+02 1.48 1.544968651e+02 1.544968651e+02 1.50 1.436580077e+02 1.436580077e+02 1.52 1.335510874e+02 1.335510874e+02 1.54 1.241226244e+02 1.241226244e+02 1.56 1.153240551e+02 1.153240551e+02 1.58 1.071106690e+02 1.071106690e+02 1.60 9.944102199e+01 9.944102199e+01 1.62 9.227674880e+01 9.227674880e+01 1.64 8.558261823e+01 8.558261823e+01 1.66 7.932647381e+01 7.932647381e+01 1.68 7.347910514e+01 7.347910514e+01 1.70 6.801406452e+01 6.801406452e+01 1.72 6.290727949e+01 6.290727949e+01 1.74 5.813649546e+01 5.813649546e+01 1.76 5.368068198e+01 5.368068198e+01 1.78 4.951962372e+01 4.951962372e+01 1.80 4.563377600e+01 4.563377600e+01 1.82 4.200431487e+01 4.200431487e+01 1.84 3.861330515e+01 3.861330515e+01 1.86 3.544392453e+01 3.544392453e+01 1.88 3.248056241e+01 3.248056241e+01 1.90 2.970886412e+01 2.970886412e+01 1.92 2.711637734e+01 2.711637734e+01 1.94 2.469095215e+01 2.469095215e+01 1.96 2.242606216e+01 2.242606216e+01 1.98 2.031572168e+01 2.031572168e+01 2.00 1.834942094e+01 1.834942094e+01 2.02 1.651767508e+01 1.651767508e+01 2.04 1.481184095e+01 1.481184095e+01 2.06 1.322395582e+01 1.322395582e+01 2.08 1.174659230e+01 1.174659230e+01 2.10 1.037277214e+01 1.037277214e+01 2.12 9.095898443e+00 9.095898443e+00 2.14 7.909732564e+00 7.909732564e+00 2.16 6.808387342e+00 6.808387342e+00 2.18 5.786314822e+00 5.786314822e+00 2.20 4.838305020e+00 4.838305020e+00 2.22 3.959453409e+00 3.959453409e+00 2.24 3.145139610e+00 3.145139610e+00 2.26 2.391018818e+00 2.391018818e+00 2.28 1.693012121e+00 1.693012121e+00 2.30 1.047338534e+00 1.047338534e+00 2.32 4.504959756e-01 4.504959756e-01 2.34 -1.007401140e-01 -1.007401140e-01 2.36 -6.093456156e-01 -6.093456156e-01 2.38 -1.078077232e+00 -1.078077232e+00 2.40 -1.509506061e+00 -1.509506061e+00 2.42 -1.906058678e+00 -1.906058678e+00 2.44 -2.270038947e+00 -2.270038947e+00 2.46 -2.603652353e+00 -2.603652353e+00 2.48 -2.909005855e+00 -2.909005855e+00 2.50 -3.188096904e+00 -3.188096904e+00 2.52 -3.442798859e+00 -3.442798859e+00 2.54 -3.674851330e+00 -3.674851330e+00 2.56 -3.885859174e+00 -3.885859174e+00 2.58 -4.077299277e+00 -4.077299277e+00 2.60 -4.250532358e+00 -4.250532358e+00 2.62 -4.406815141e+00 -4.406815141e+00 2.64 -4.547321622e+00 -4.547321622e+00 2.66 -4.673143028e+00 -4.673143028e+00 2.68 -4.785306131e+00 -4.785306131e+00 2.70 -4.884878268e+00 -4.884878268e+00 2.72 -4.972760456e+00 -4.972760456e+00 2.74 -5.049685840e+00 -5.049685840e+00 2.76 -5.116360715e+00 -5.116360715e+00 2.78 -5.173450531e+00 -5.173450531e+00 2.80 -5.221582863e+00 -5.221582863e+00 2.82 -5.261325345e+00 -5.261325345e+00 2.84 -5.293201525e+00 -5.293201525e+00 2.86 -5.317661683e+00 -5.317661683e+00 2.88 -5.334917046e+00 -5.334917046e+00 2.90 -5.345124752e+00 -5.345124752e+00 2.92 -5.348489882e+00 -5.348489882e+00 2.94 -5.345260198e+00 -5.345260198e+00 2.96 -5.335719531e+00 -5.335719531e+00 2.98 -5.320180535e+00 -5.320180535e+00 3.00 -5.298977116e+00 -5.298977116e+00 3.02 -5.272457017e+00 -5.272457017e+00 3.04 -5.240970768e+00 -5.240970768e+00 3.06 -5.204883557e+00 -5.204883557e+00 3.08 -5.164542115e+00 -5.164542115e+00 3.10 -5.120291641e+00 -5.120291641e+00 3.12 -5.072601632e+00 -5.072601632e+00 3.14 -5.021866344e+00 -5.021866344e+00 3.16 -4.968225263e+00 -4.968225263e+00 3.18 -4.911815243e+00 -4.911815243e+00 3.20 -4.852784300e+00 -4.852784300e+00 3.22 -4.791286875e+00 -4.791286875e+00 3.24 -4.727481616e+00 -4.727481616e+00 3.26 -4.661531914e+00 -4.661531914e+00 3.28 -4.593608300e+00 -4.593608300e+00 3.30 -4.523891540e+00 -4.523891540e+00 3.32 -4.452583105e+00 -4.452583105e+00 3.34 -4.379894276e+00 -4.379894276e+00 3.36 -4.306034558e+00 -4.306034558e+00 3.38 -4.231206060e+00 -4.231206060e+00 3.40 -4.155596172e+00 -4.155596172e+00 3.42 -4.079381400e+00 -4.079381400e+00 3.44 -4.002715027e+00 -4.002715027e+00 3.46 -3.925736489e+00 -3.925736489e+00 3.48 -3.848571404e+00 -3.848571404e+00 3.50 -3.771333870e+00 -3.771333870e+00 3.52 -3.694128234e+00 -3.694128234e+00 3.54 -3.617050138e+00 -3.617050138e+00 3.56 -3.540186912e+00 -3.540186912e+00 3.58 -3.463617571e+00 -3.463617571e+00 3.60 -3.387412673e+00 -3.387412673e+00 3.62 -3.311634306e+00 -3.311634306e+00 3.64 -3.236336385e+00 -3.236336385e+00 3.66 -3.161565429e+00 -3.161565429e+00 3.68 -3.087361898e+00 -3.087361898e+00 3.70 -3.013762160e+00 -3.013762160e+00 3.72 -2.940801058e+00 -2.940801058e+00 3.74 -2.868514990e+00 -2.868514990e+00 3.76 -2.796945266e+00 -2.796945266e+00 3.78 -2.726141370e+00 -2.726141370e+00 3.80 -2.656163625e+00 -2.656163625e+00 3.82 -2.587084637e+00 -2.587084637e+00 3.84 -2.518988944e+00 -2.518988944e+00 3.86 -2.451970481e+00 -2.451970481e+00 3.88 -2.386127836e+00 -2.386127836e+00 3.90 -2.321557790e+00 -2.321557790e+00 3.92 -2.258344626e+00 -2.258344626e+00 3.94 -2.196567775e+00 -2.196567775e+00 3.96 -2.136273795e+00 -2.136273795e+00 3.98 -2.077489700e+00 -2.077489700e+00 4.00 -2.020218533e+00 -2.020218533e+00 4.02 -1.964441582e+00 -1.964441582e+00 4.04 -1.910122226e+00 -1.910122226e+00 4.06 -1.857210609e+00 -1.857210609e+00 4.08 -1.805648379e+00 -1.805648379e+00 4.10 -1.755366042e+00 -1.755366042e+00 4.12 -1.706315556e+00 -1.706315556e+00 4.14 -1.658427254e+00 -1.658427254e+00 4.16 -1.611644045e+00 -1.611644045e+00 4.18 -1.565914186e+00 -1.565914186e+00 4.20 -1.521192134e+00 -1.521192134e+00 4.22 -1.477439056e+00 -1.477439056e+00 4.24 -1.434623079e+00 -1.434623079e+00 4.26 -1.392719361e+00 -1.392719361e+00 4.28 -1.351710000e+00 -1.351710000e+00 4.30 -1.311583795e+00 -1.311583795e+00 4.32 -1.272335846e+00 -1.272335846e+00 4.34 -1.233966973e+00 -1.233966973e+00 4.36 -1.196482932e+00 -1.196482932e+00 4.38 -1.159893425e+00 -1.159893425e+00 4.40 -1.124210902e+00 -1.124210902e+00 4.42 -1.089449180e+00 -1.089449180e+00 4.44 -1.055621942e+00 -1.055621942e+00 4.46 -1.022741185e+00 -1.022741185e+00 4.48 -9.908157473e-01 -9.908157473e-01 4.50 -9.598500034e-01 -9.598500034e-01 4.52 -9.298428659e-01 -9.298428659e-01 4.54 -9.007871633e-01 -9.007871633e-01 4.56 -8.726694419e-01 -8.726694419e-01 4.58 -8.454701844e-01 -8.454701844e-01 4.60 -8.191643932e-01 -8.191643932e-01 4.62 -7.937224523e-01 -7.937224523e-01 4.64 -7.691111666e-01 -7.691111666e-01 4.66 -7.452948771e-01 -7.452948771e-01 4.68 -7.222365647e-01 -7.222365647e-01 4.70 -6.998988793e-01 -6.998988793e-01 4.72 -6.782450502e-01 -6.782450502e-01 4.74 -6.572396600e-01 -6.572396600e-01 4.76 -6.368492771e-01 -6.368492771e-01 4.78 -6.170429521e-01 -6.170429521e-01 4.80 -5.977864424e-01 -5.977864424e-01 4.82 -5.790680938e-01 -5.790680938e-01 4.84 -5.608588045e-01 -5.608588045e-01 4.86 -5.431401611e-01 -5.431401611e-01 4.88 -5.258969616e-01 -5.258969616e-01 4.90 -5.091170304e-01 -5.091170304e-01 4.92 -4.927909185e-01 -4.927909185e-01 4.94 -4.769114912e-01 -4.769114912e-01 4.96 -4.614734147e-01 -4.614734147e-01 4.98 -4.464725636e-01 -4.464725636e-01 5.00 -4.319053803e-01 -4.319053803e-01 5.02 -4.177682272e-01 -4.177682272e-01 5.04 -4.040567772e-01 -4.040567772e-01 5.06 -3.907654872e-01 -3.907654872e-01 5.08 -3.778871915e-01 -3.778871915e-01 5.10 -3.654128439e-01 -3.654128439e-01 5.12 -3.533314196e-01 -3.533314196e-01 5.14 -3.416299766e-01 -3.416299766e-01 5.16 -3.302938613e-01 -3.302938613e-01 5.18 -3.193070359e-01 -3.193070359e-01 5.20 -3.086524969e-01 -3.086524969e-01 5.22 -2.983127568e-01 -2.983127568e-01 5.24 -2.882703600e-01 -2.882703600e-01 5.26 -2.785084067e-01 -2.785084067e-01 5.28 -2.690110648e-01 -2.690110648e-01 5.30 -2.597640482e-01 -2.597640482e-01 5.32 -2.507550429e-01 -2.507550429e-01 5.34 -2.419740615e-01 -2.419740615e-01 5.36 -2.334137048e-01 -2.334137048e-01 5.38 -2.250693078e-01 -2.250693078e-01 5.40 -2.169389510e-01 -2.169389510e-01 5.42 -2.090233190e-01 -2.090233190e-01 5.44 -2.013254000e-01 -2.013254000e-01 5.46 -1.938500315e-01 -1.938500315e-01 5.48 -1.866033137e-01 -1.866033137e-01 5.50 -1.795919267e-01 -1.795919267e-01 5.52 -1.728224060e-01 -1.728224060e-01 5.54 -1.663004353e-01 -1.663004353e-01 5.56 -1.600302140e-01 -1.600302140e-01 5.58 -1.540139546e-01 -1.540139546e-01 5.60 -1.482514131e-01 -1.482514131e-01 5.62 -1.427397264e-01 -1.427397264e-01 5.64 -1.374740469e-01 -1.374740469e-01 5.66 -1.324471720e-01 -1.324471720e-01 5.68 -1.276498107e-01 -1.276498107e-01 5.70 -1.230709624e-01 -1.230709624e-01 5.72 -1.186983283e-01 -1.186983283e-01 5.74 -1.145187195e-01 -1.145187195e-01 5.76 -1.105184340e-01 -1.105184340e-01 5.78 -1.066835851e-01 -1.066835851e-01 5.80 -1.030003725e-01 -1.030003725e-01 5.82 -9.945529345e-02 -9.945529345e-02 5.84 -9.603529821e-02 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