# 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 = AlCoMg2 # 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 2.237914742e+02 2.237914742e+02 1.30 2.071052858e+02 2.071052858e+02 1.32 1.916867591e+02 1.916867591e+02 1.34 1.774321367e+02 1.774321367e+02 1.36 1.642473819e+02 1.642473819e+02 1.38 1.520484049e+02 1.520484049e+02 1.40 1.407596256e+02 1.407596256e+02 1.42 1.303115652e+02 1.303115652e+02 1.44 1.206386176e+02 1.206386176e+02 1.46 1.116780712e+02 1.116780712e+02 1.48 1.033709127e+02 1.033709127e+02 1.50 9.566360031e+01 9.566360031e+01 1.52 8.850908524e+01 8.850908524e+01 1.54 8.186626808e+01 8.186626808e+01 1.56 7.569861663e+01 7.569861663e+01 1.58 6.997341425e+01 6.997341425e+01 1.60 6.466007598e+01 6.466007598e+01 1.62 5.973107267e+01 5.973107267e+01 1.64 5.515859023e+01 5.515859023e+01 1.66 5.091571433e+01 5.091571433e+01 1.68 4.697696963e+01 4.697696963e+01 1.70 4.331883150e+01 4.331883150e+01 1.72 3.992009453e+01 3.992009453e+01 1.74 3.676182338e+01 3.676182338e+01 1.76 3.382698145e+01 3.382698145e+01 1.78 3.110003789e+01 3.110003789e+01 1.80 2.856672109e+01 2.856672109e+01 1.82 2.621389363e+01 2.621389363e+01 1.84 2.402944645e+01 2.402944645e+01 1.86 2.200217539e+01 2.200217539e+01 1.88 2.012162163e+01 2.012162163e+01 1.90 1.837789332e+01 1.837789332e+01 1.92 1.676149497e+01 1.676149497e+01 1.94 1.526321410e+01 1.526321410e+01 1.96 1.387411496e+01 1.387411496e+01 1.98 1.258565296e+01 1.258565296e+01 2.00 1.138986394e+01 1.138986394e+01 2.02 1.027954178e+01 1.027954178e+01 2.04 9.248321709e+00 9.248321709e+00 2.06 8.290632848e+00 8.290632848e+00 2.08 7.401549672e+00 7.401549672e+00 2.10 6.576614660e+00 6.576614660e+00 2.12 5.811690185e+00 5.811690185e+00 2.14 5.102867461e+00 5.102867461e+00 2.16 4.446429558e+00 4.446429558e+00 2.18 3.838847934e+00 3.838847934e+00 2.20 3.276795958e+00 3.276795958e+00 2.22 2.757160354e+00 2.757160354e+00 2.24 2.277047720e+00 2.277047720e+00 2.26 1.833784112e+00 1.833784112e+00 2.28 1.424907290e+00 1.424907290e+00 2.30 1.048158802e+00 1.048158802e+00 2.32 7.014660622e-01 7.014660622e-01 2.34 3.829273297e-01 3.829273297e-01 2.36 9.079050862e-02 9.079050862e-02 2.38 -1.765671495e-01 -1.765671495e-01 2.40 -4.206870175e-01 -4.206870175e-01 2.42 -6.430130767e-01 -6.430130767e-01 2.44 -8.448704508e-01 -8.448704508e-01 2.46 -1.027551908e+00 -1.027551908e+00 2.48 -1.192332287e+00 -1.192332287e+00 2.50 -1.340476888e+00 -1.340476888e+00 2.52 -1.473245476e+00 -1.473245476e+00 2.54 -1.592026762e+00 -1.592026762e+00 2.56 -1.698734134e+00 -1.698734134e+00 2.58 -1.794346932e+00 -1.794346932e+00 2.60 -1.879717922e+00 -1.879717922e+00 2.62 -1.955715447e+00 -1.955715447e+00 2.64 -2.023171674e+00 -2.023171674e+00 2.66 -2.082833779e+00 -2.082833779e+00 2.68 -2.135336155e+00 -2.135336155e+00 2.70 -2.181195292e+00 -2.181195292e+00 2.72 -2.220834244e+00 -2.220834244e+00 2.74 -2.254601564e+00 -2.254601564e+00 2.76 -2.282788871e+00 -2.282788871e+00 2.78 -2.305653430e+00 -2.305653430e+00 2.80 -2.323434970e+00 -2.323434970e+00 2.82 -2.336363228e+00 -2.336363228e+00 2.84 -2.344663482e+00 -2.344663482e+00 2.86 -2.348557878e+00 -2.348557878e+00 2.88 -2.348266213e+00 -2.348266213e+00 2.90 -2.344007229e+00 -2.344007229e+00 2.92 -2.336001357e+00 -2.336001357e+00 2.94 -2.324475357e+00 -2.324475357e+00 2.96 -2.309668643e+00 -2.309668643e+00 2.98 -2.291840336e+00 -2.291840336e+00 3.00 -2.271275277e+00 -2.271275277e+00 3.02 -2.248286637e+00 -2.248286637e+00 3.04 -2.223212687e+00 -2.223212687e+00 3.06 -2.196408247e+00 -2.196408247e+00 3.08 -2.168227376e+00 -2.168227376e+00 3.10 -2.139006197e+00 -2.139006197e+00 3.12 -2.109044800e+00 -2.109044800e+00 3.14 -2.078596399e+00 -2.078596399e+00 3.16 -2.047872007e+00 -2.047872007e+00 3.18 -2.017036918e+00 -2.017036918e+00 3.20 -1.986168787e+00 -1.986168787e+00 3.22 -1.955314318e+00 -1.955314318e+00 3.24 -1.924501393e+00 -1.924501393e+00 3.26 -1.893748186e+00 -1.893748186e+00 3.28 -1.863070042e+00 -1.863070042e+00 3.30 -1.832483669e+00 -1.832483669e+00 3.32 -1.802008814e+00 -1.802008814e+00 3.34 -1.771667648e+00 -1.771667648e+00 3.36 -1.741468887e+00 -1.741468887e+00 3.38 -1.711395385e+00 -1.711395385e+00 3.40 -1.681433926e+00 -1.681433926e+00 3.42 -1.651577117e+00 -1.651577117e+00 3.44 -1.621821878e+00 -1.621821878e+00 3.46 -1.592169238e+00 -1.592169238e+00 3.48 -1.562623884e+00 -1.562623884e+00 3.50 -1.533193799e+00 -1.533193799e+00 3.52 -1.503889794e+00 -1.503889794e+00 3.54 -1.474724914e+00 -1.474724914e+00 3.56 -1.445713776e+00 -1.445713776e+00 3.58 -1.416871890e+00 -1.416871890e+00 3.60 -1.388215028e+00 -1.388215028e+00 3.62 -1.359758689e+00 -1.359758689e+00 3.64 -1.331517686e+00 -1.331517686e+00 3.66 -1.303505863e+00 -1.303505863e+00 3.68 -1.275735949e+00 -1.275735949e+00 3.70 -1.248219533e+00 -1.248219533e+00 3.72 -1.220967144e+00 -1.220967144e+00 3.74 -1.193988403e+00 -1.193988403e+00 3.76 -1.167292213e+00 -1.167292213e+00 3.78 -1.140886956e+00 -1.140886956e+00 3.80 -1.114780642e+00 -1.114780642e+00 3.82 -1.088980974e+00 -1.088980974e+00 3.84 -1.063495284e+00 -1.063495284e+00 3.86 -1.038330334e+00 -1.038330334e+00 3.88 -1.013491968e+00 -1.013491968e+00 3.90 -9.889846756e-01 -9.889846756e-01 3.92 -9.648109644e-01 -9.648109644e-01 3.94 -9.409716563e-01 -9.409716563e-01 3.96 -9.174645174e-01 -9.174645174e-01 3.98 -8.942849777e-01 -8.942849777e-01 4.00 -8.714260717e-01 -8.714260717e-01 4.02 -8.488787898e-01 -8.488787898e-01 4.04 -8.266326014e-01 -8.266326014e-01 4.06 -8.046761120e-01 -8.046761120e-01 4.08 -7.829978306e-01 -7.829978306e-01 4.10 -7.615864663e-01 -7.615864663e-01 4.12 -7.404342301e-01 -7.404342301e-01 4.14 -7.195340979e-01 -7.195340979e-01 4.16 -6.988834779e-01 -6.988834779e-01 4.18 -6.784844929e-01 -6.784844929e-01 4.20 -6.583448324e-01 -6.583448324e-01 4.22 -6.384783433e-01 -6.384783433e-01 4.24 -6.189052201e-01 -6.189052201e-01 4.26 -5.996516681e-01 -5.996516681e-01 4.28 -5.807489561e-01 -5.807489561e-01 4.30 -5.622318552e-01 -5.622318552e-01 4.32 -5.441365560e-01 -5.441365560e-01 4.34 -5.264982571e-01 -5.264982571e-01 4.36 -5.093486846e-01 -5.093486846e-01 4.38 -4.927138309e-01 -4.927138309e-01 4.40 -4.766121620e-01 -4.766121620e-01 4.42 -4.610534660e-01 -4.610534660e-01 4.44 -4.460384068e-01 -4.460384068e-01 4.46 -4.315587410e-01 -4.315587410e-01 4.48 -4.175980765e-01 -4.175980765e-01 4.50 -4.041330056e-01 -4.041330056e-01 4.52 -3.911344361e-01 -3.911344361e-01 4.54 -3.785689667e-01 -3.785689667e-01 4.56 -3.664001906e-01 -3.664001906e-01 4.58 -3.545898559e-01 -3.545898559e-01 4.60 -3.430988522e-01 -3.430988522e-01 4.62 -3.318880264e-01 -3.318880264e-01 4.64 -3.209188549e-01 -3.209188549e-01 4.66 -3.101540104e-01 -3.101540104e-01 4.68 -2.995578708e-01 -2.995578708e-01 4.70 -2.890970123e-01 -2.890970123e-01 4.72 -2.787407266e-01 -2.787407266e-01 4.74 -2.684615904e-01 -2.684615904e-01 4.76 -2.582361013e-01 -2.582361013e-01 4.78 -2.480453803e-01 -2.480453803e-01 4.80 -2.378755479e-01 -2.378755479e-01 4.82 -2.277200309e-01 -2.277200309e-01 4.84 -2.175778204e-01 -2.175778204e-01 4.86 -2.074557366e-01 -2.074557366e-01 4.88 -1.973683050e-01 -1.973683050e-01 4.90 -1.873377562e-01 -1.873377562e-01 4.92 -1.773936171e-01 -1.773936171e-01 4.94 -1.675718415e-01 -1.675718415e-01 4.96 -1.579134721e-01 -1.579134721e-01 4.98 -1.484628877e-01 -1.484628877e-01 5.00 -1.392657417e-01 -1.392657417e-01 5.02 -1.303667511e-01 -1.303667511e-01 5.04 -1.218075232e-01 -1.218075232e-01 5.06 -1.136246056e-01 -1.136246056e-01 5.08 -1.058479222e-01 -1.058479222e-01 5.10 -9.849970440e-02 -9.849970440e-02 5.12 -9.159396795e-02 -9.159396795e-02 5.14 -8.513652141e-02 -8.513652141e-02 5.16 -7.912543984e-02 -7.912543984e-02 5.18 -7.355190159e-02 -7.355190159e-02 5.20 -6.840126998e-02 -6.840126998e-02 5.22 -6.365430840e-02 -6.365430840e-02 5.24 -5.928840031e-02 -5.928840031e-02 5.26 -5.527870725e-02 -5.527870725e-02 5.28 -5.159924314e-02 -5.159924314e-02 5.30 -4.822377159e-02 -4.822377159e-02 5.32 -4.512653517e-02 -4.512653517e-02 5.34 -4.228226237e-02 -4.228226237e-02 5.36 -3.966680570e-02 -3.966680570e-02 5.38 -3.725947928e-02 -3.725947928e-02 5.40 -3.504114461e-02 -3.504114461e-02 5.42 -3.299428754e-02 -3.299428754e-02 5.44 -3.110307608e-02 -3.110307608e-02 5.46 -2.935332307e-02 -2.935332307e-02 5.48 -2.773238218e-02 -2.773238218e-02 5.50 -2.622900139e-02 -2.622900139e-02 5.52 -2.483315481e-02 -2.483315481e-02 5.54 -2.353586942e-02 -2.353586942e-02 5.56 -2.232906024e-02 -2.232906024e-02 5.58 -2.120538311e-02 -2.120538311e-02 5.60 -2.015811080e-02 -2.015811080e-02 5.62 -1.918103458e-02 -1.918103458e-02 5.64 -1.826839011e-02 -1.826839011e-02 5.66 -1.741480497e-02 -1.741480497e-02 5.68 -1.661526317e-02 -1.661526317e-02 5.70 -1.586508212e-02 -1.586508212e-02 5.72 -1.515989747e-02 -1.515989747e-02 5.74 -1.449565168e-02 -1.449565168e-02 5.76 -1.386855462e-02 -1.386855462e-02 5.78 -1.327512198e-02 -1.327512198e-02 5.80 -1.271216623e-02 -1.271216623e-02 5.82 -1.217676141e-02 -1.217676141e-02 5.84 -1.166622854e-02 -1.166622854e-02 5.86 -1.117812000e-02 -1.117812000e-02 5.88 -1.071020356e-02 -1.071020356e-02 5.90 -1.026044666e-02 -1.026044666e-02 5.92 -9.827001730e-03 -9.827001730e-03 5.94 -9.408192858e-03 -9.408192858e-03 5.96 -9.002504501e-03 -9.002504501e-03 5.98 -8.608572351e-03 -8.608572351e-03 6.00 -8.225176659e-03 -8.225176659e-03