# 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 = AlMoNi2 # 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 1.345708491e+02 1.345708491e+02 1.30 1.240362295e+02 1.240362295e+02 1.32 1.143091643e+02 1.143091643e+02 1.34 1.053227985e+02 1.053227985e+02 1.36 9.701613363e+01 9.701613363e+01 1.38 8.933424877e+01 8.933424877e+01 1.40 8.222732823e+01 8.222732823e+01 1.42 7.564955754e+01 7.564955754e+01 1.44 6.955828275e+01 6.955828275e+01 1.46 6.391354581e+01 6.391354581e+01 1.48 5.867832035e+01 5.867832035e+01 1.50 5.381932955e+01 5.381932955e+01 1.52 4.930767378e+01 4.930767378e+01 1.54 4.511862442e+01 4.511862442e+01 1.56 4.123064596e+01 4.123064596e+01 1.58 3.762420494e+01 3.762420494e+01 1.60 3.428091979e+01 3.428091979e+01 1.62 3.118323460e+01 3.118323460e+01 1.64 2.831443381e+01 2.831443381e+01 1.66 2.566036025e+01 2.566036025e+01 1.68 2.320658209e+01 2.320658209e+01 1.70 2.093856437e+01 2.093856437e+01 1.72 1.884414404e+01 1.884414404e+01 1.74 1.691030499e+01 1.691030499e+01 1.76 1.512420663e+01 1.512420663e+01 1.78 1.347372624e+01 1.347372624e+01 1.80 1.194768533e+01 1.194768533e+01 1.82 1.053609180e+01 1.053609180e+01 1.84 9.230265466e+00 9.230265466e+00 1.86 8.022773168e+00 8.022773168e+00 1.88 6.907183662e+00 6.907183662e+00 1.90 5.877722894e+00 5.877722894e+00 1.92 4.928940544e+00 4.928940544e+00 1.94 4.055486123e+00 4.055486123e+00 1.96 3.252045049e+00 3.252045049e+00 1.98 2.513416154e+00 2.513416154e+00 2.00 1.834654109e+00 1.834654109e+00 2.02 1.211187936e+00 1.211187936e+00 2.04 6.388606992e-01 6.388606992e-01 2.06 1.138872745e-01 1.138872745e-01 2.08 -3.672321997e-01 -3.672321997e-01 2.10 -8.077927573e-01 -8.077927573e-01 2.12 -1.210924543e+00 -1.210924543e+00 2.14 -1.579587289e+00 -1.579587289e+00 2.16 -1.916537718e+00 -1.916537718e+00 2.18 -2.224295766e+00 -2.224295766e+00 2.20 -2.505128783e+00 -2.505128783e+00 2.22 -2.761059967e+00 -2.761059967e+00 2.24 -2.993895943e+00 -2.993895943e+00 2.26 -3.205263857e+00 -3.205263857e+00 2.28 -3.396650446e+00 -3.396650446e+00 2.30 -3.569438841e+00 -3.569438841e+00 2.32 -3.724938553e+00 -3.724938553e+00 2.34 -3.864399358e+00 -3.864399358e+00 2.36 -3.988875425e+00 -3.988875425e+00 2.38 -4.099503520e+00 -4.099503520e+00 2.40 -4.197418254e+00 -4.197418254e+00 2.42 -4.283582343e+00 -4.283582343e+00 2.44 -4.358808833e+00 -4.358808833e+00 2.46 -4.423802267e+00 -4.423802267e+00 2.48 -4.479203710e+00 -4.479203710e+00 2.50 -4.525622044e+00 -4.525622044e+00 2.52 -4.563542405e+00 -4.563542405e+00 2.54 -4.593355820e+00 -4.593355820e+00 2.56 -4.615504601e+00 -4.615504601e+00 2.58 -4.630472721e+00 -4.630472721e+00 2.60 -4.638772237e+00 -4.638772237e+00 2.62 -4.640922405e+00 -4.640922405e+00 2.64 -4.637427703e+00 -4.637427703e+00 2.66 -4.628759039e+00 -4.628759039e+00 2.68 -4.615904197e+00 -4.615904197e+00 2.70 -4.599523818e+00 -4.599523818e+00 2.72 -4.579465628e+00 -4.579465628e+00 2.74 -4.555495795e+00 -4.555495795e+00 2.76 -4.527459560e+00 -4.527459560e+00 2.78 -4.495269493e+00 -4.495269493e+00 2.80 -4.458884265e+00 -4.458884265e+00 2.82 -4.418296234e+00 -4.418296234e+00 2.84 -4.373538407e+00 -4.373538407e+00 2.86 -4.324657842e+00 -4.324657842e+00 2.88 -4.271710874e+00 -4.271710874e+00 2.90 -4.214772069e+00 -4.214772069e+00 2.92 -4.153945741e+00 -4.153945741e+00 2.94 -4.089377706e+00 -4.089377706e+00 2.96 -4.021265282e+00 -4.021265282e+00 2.98 -3.949863954e+00 -3.949863954e+00 3.00 -3.875489244e+00 -3.875489244e+00 3.02 -3.798512511e+00 -3.798512511e+00 3.04 -3.719349777e+00 -3.719349777e+00 3.06 -3.638443681e+00 -3.638443681e+00 3.08 -3.556239917e+00 -3.556239917e+00 3.10 -3.473161463e+00 -3.473161463e+00 3.12 -3.389584656e+00 -3.389584656e+00 3.14 -3.305821345e+00 -3.305821345e+00 3.16 -3.222109828e+00 -3.222109828e+00 3.18 -3.138615366e+00 -3.138615366e+00 3.20 -3.055438851e+00 -3.055438851e+00 3.22 -2.972631050e+00 -2.972631050e+00 3.24 -2.890209520e+00 -2.890209520e+00 3.26 -2.808175741e+00 -2.808175741e+00 3.28 -2.726530740e+00 -2.726530740e+00 3.30 -2.645288251e+00 -2.645288251e+00 3.32 -2.564484902e+00 -2.564484902e+00 3.34 -2.484187249e+00 -2.484187249e+00 3.36 -2.404495549e+00 -2.404495549e+00 3.38 -2.325544274e+00 -2.325544274e+00 3.40 -2.247499391e+00 -2.247499391e+00 3.42 -2.170552657e+00 -2.170552657e+00 3.44 -2.094913325e+00 -2.094913325e+00 3.46 -2.020797978e+00 -2.020797978e+00 3.48 -1.948419402e+00 -1.948419402e+00 3.50 -1.877975522e+00 -1.877975522e+00 3.52 -1.809639449e+00 -1.809639449e+00 3.54 -1.743551517e+00 -1.743551517e+00 3.56 -1.679813901e+00 -1.679813901e+00 3.58 -1.618488080e+00 -1.618488080e+00 3.60 -1.559595072e+00 -1.559595072e+00 3.62 -1.503118076e+00 -1.503118076e+00 3.64 -1.449007004e+00 -1.449007004e+00 3.66 -1.397184310e+00 -1.397184310e+00 3.68 -1.347551536e+00 -1.347551536e+00 3.70 -1.299996073e+00 -1.299996073e+00 3.72 -1.254397757e+00 -1.254397757e+00 3.74 -1.210634965e+00 -1.210634965e+00 3.76 -1.168589991e+00 -1.168589991e+00 3.78 -1.128153475e+00 -1.128153475e+00 3.80 -1.089227679e+00 -1.089227679e+00 3.82 -1.051728434e+00 -1.051728434e+00 3.84 -1.015585613e+00 -1.015585613e+00 3.86 -9.807420789e-01 -9.807420789e-01 3.88 -9.471512399e-01 -9.471512399e-01 3.90 -9.147735270e-01 -9.147735270e-01 3.92 -8.835722858e-01 -8.835722858e-01 3.94 -8.535097185e-01 -8.535097185e-01 3.96 -8.245434029e-01 -8.245434029e-01 3.98 -7.966239305e-01 -7.966239305e-01 4.00 -7.696938192e-01 -7.696938192e-01 4.02 -7.436877096e-01 -7.436877096e-01 4.04 -7.185336192e-01 -7.185336192e-01 4.06 -6.941549285e-01 -6.941549285e-01 4.08 -6.704727594e-01 -6.704727594e-01 4.10 -6.474084504e-01 -6.474084504e-01 4.12 -6.248859924e-01 -6.248859924e-01 4.14 -6.028341679e-01 -6.028341679e-01 4.16 -5.811885555e-01 -5.811885555e-01 4.18 -5.598932280e-01 -5.598932280e-01 4.20 -5.389022009e-01 -5.389022009e-01 4.22 -5.181805934e-01 -5.181805934e-01 4.24 -4.977054556e-01 -4.977054556e-01 4.26 -4.774662000e-01 -4.774662000e-01 4.28 -4.574645813e-01 -4.574645813e-01 4.30 -4.377141930e-01 -4.377141930e-01 4.32 -4.182394919e-01 -4.182394919e-01 4.34 -3.990744103e-01 -3.990744103e-01 4.36 -3.802606508e-01 -3.802606508e-01 4.38 -3.618457745e-01 -3.618457745e-01 4.40 -3.438811730e-01 -3.438811730e-01 4.42 -3.264199833e-01 -3.264199833e-01 4.44 -3.095149585e-01 -3.095149585e-01 4.46 -2.932162923e-01 -2.932162923e-01 4.48 -2.775694047e-01 -2.775694047e-01 4.50 -2.626127443e-01 -2.626127443e-01 4.52 -2.483757278e-01 -2.483757278e-01 4.54 -2.348769865e-01 -2.348769865e-01 4.56 -2.221231158e-01 -2.221231158e-01 4.58 -2.101080852e-01 -2.101080852e-01 4.60 -1.988134103e-01 -1.988134103e-01 4.62 -1.882090694e-01 -1.882090694e-01 4.64 -1.782550628e-01 -1.782550628e-01 4.66 -1.689034594e-01 -1.689034594e-01 4.68 -1.601007146e-01 -1.601007146e-01 4.70 -1.517900714e-01 -1.517900714e-01 4.72 -1.439138545e-01 -1.439138545e-01 4.74 -1.364153210e-01 -1.364153210e-01 4.76 -1.292411642e-01 -1.292411642e-01 4.78 -1.223424635e-01 -1.223424635e-01 4.80 -1.156762286e-01 -1.156762286e-01 4.82 -1.092062869e-01 -1.092062869e-01 4.84 -1.029036121e-01 -1.029036121e-01 4.86 -9.674680059e-02 -9.674680059e-02 4.88 -9.072220781e-02 -9.072220781e-02 4.90 -8.482378881e-02 -8.482378881e-02 4.92 -7.905263649e-02 -7.905263649e-02 4.94 -7.341622284e-02 -7.341622284e-02 4.96 -6.792736237e-02 -6.792736237e-02 4.98 -6.260293850e-02 -6.260293850e-02 5.00 -5.746245920e-02 -5.746245920e-02 5.02 -5.252653021e-02 -5.252653021e-02 5.04 -4.781534942e-02 -4.781534942e-02 5.06 -4.334732824e-02 -4.334732824e-02 5.08 -3.913793444e-02 -3.913793444e-02 5.10 -3.519882706e-02 -3.519882706e-02 5.12 -3.153732167e-02 -3.153732167e-02 5.14 -2.815618908e-02 -2.815618908e-02 5.16 -2.505375920e-02 -2.505375920e-02 5.18 -2.222427462e-02 -2.222427462e-02 5.20 -1.965842881e-02 -1.965842881e-02 5.22 -1.734401835e-02 -1.734401835e-02 5.24 -1.526663936e-02 -1.526663936e-02 5.26 -1.341034708e-02 -1.341034708e-02 5.28 -1.175799482e-02 -1.175799482e-02 5.30 -1.029260743e-02 -1.029260743e-02 5.32 -8.997409371e-03 -8.997409371e-03 5.34 -7.856022849e-03 -7.856022849e-03 5.36 -6.852776698e-03 -6.852776698e-03 5.38 -5.972919614e-03 -5.972919614e-03 5.40 -5.202752927e-03 -5.202752927e-03 5.42 -4.529698364e-03 -4.529698364e-03 5.44 -3.942315460e-03 -3.942315460e-03 5.46 -3.430281587e-03 -3.430281587e-03 5.48 -2.984345610e-03 -2.984345610e-03 5.50 -2.596264146e-03 -2.596264146e-03 5.52 -2.258727481e-03 -2.258727481e-03 5.54 -1.965280555e-03 -1.965280555e-03 5.56 -1.710242944e-03 -1.710242944e-03 5.58 -1.488630661e-03 -1.488630661e-03 5.60 -1.296081656e-03 -1.296081656e-03 5.62 -1.128786166e-03 -1.128786166e-03 5.64 -9.834225798e-04 -9.834225798e-04 5.66 -8.570990573e-04 -8.570990573e-04 5.68 -7.473008889e-04 -7.473008889e-04 5.70 -6.518433945e-04 -6.518433945e-04 5.72 -5.688300445e-04 -5.688300445e-04 5.74 -4.966154152e-04 -4.966154152e-04 5.76 -4.337725629e-04 -4.337725629e-04 5.78 -3.790643926e-04 -3.790643926e-04 5.80 -3.314186066e-04 -3.314186066e-04 5.82 -2.899058391e-04 -2.899058391e-04 5.84 -2.537206125e-04 -2.537206125e-04 5.86 -2.221647772e-04 -2.221647772e-04 5.88 -1.946331321e-04 -1.946331321e-04 5.90 -1.706009528e-04 -1.706009528e-04 5.92 -1.496131838e-04 -1.496131838e-04 5.94 -1.312750794e-04 -1.312750794e-04 5.96 -1.152441035e-04 -1.152441035e-04 5.98 -1.012229219e-04 -1.012229219e-04 6.00 -8.895334186e-05 -8.895334186e-05