# 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 = Cu2MoZr # 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 2.016776180e+02 2.016776180e+02 1.30 1.862030763e+02 1.862030763e+02 1.32 1.719133730e+02 1.719133730e+02 1.34 1.587124317e+02 1.587124317e+02 1.36 1.465093964e+02 1.465093964e+02 1.38 1.352187622e+02 1.352187622e+02 1.40 1.247618031e+02 1.247618031e+02 1.42 1.150678256e+02 1.150678256e+02 1.44 1.060742239e+02 1.060742239e+02 1.46 9.772568808e+01 9.772568808e+01 1.48 8.997319427e+01 8.997319427e+01 1.50 8.277291683e+01 8.277291683e+01 1.52 7.608520755e+01 7.608520755e+01 1.54 6.987376458e+01 6.987376458e+01 1.56 6.410508055e+01 6.410508055e+01 1.58 5.874828035e+01 5.874828035e+01 1.60 5.377518027e+01 5.377518027e+01 1.62 4.916029137e+01 4.916029137e+01 1.64 4.488056162e+01 4.488056162e+01 1.66 4.091488954e+01 4.091488954e+01 1.68 3.724355372e+01 3.724355372e+01 1.70 3.384774059e+01 3.384774059e+01 1.72 3.070910693e+01 3.070910693e+01 1.74 2.780946478e+01 2.780946478e+01 1.76 2.513082319e+01 2.513082319e+01 1.78 2.265580705e+01 2.265580705e+01 1.80 2.036876533e+01 2.036876533e+01 1.82 1.825390970e+01 1.825390970e+01 1.84 1.629597594e+01 1.629597594e+01 1.86 1.448136088e+01 1.448136088e+01 1.88 1.279843878e+01 1.279843878e+01 1.90 1.123739532e+01 1.123739532e+01 1.92 9.789933713e+00 9.789933713e+00 1.94 8.448912583e+00 8.448912583e+00 1.96 7.207961469e+00 7.207961469e+00 1.98 6.061217244e+00 6.061217244e+00 2.00 5.003155175e+00 5.003155175e+00 2.02 4.028468430e+00 4.028468430e+00 2.04 3.131973912e+00 3.131973912e+00 2.06 2.308541429e+00 2.308541429e+00 2.08 1.553055878e+00 1.553055878e+00 2.10 8.604363952e-01 8.604363952e-01 2.12 2.257165797e-01 2.257165797e-01 2.14 -3.558455440e-01 -3.558455440e-01 2.16 -8.886475862e-01 -8.886475862e-01 2.18 -1.376675436e+00 -1.376675436e+00 2.20 -1.823492521e+00 -1.823492521e+00 2.22 -2.232292659e+00 -2.232292659e+00 2.24 -2.605965089e+00 -2.605965089e+00 2.26 -2.947150031e+00 -2.947150031e+00 2.28 -3.258289423e+00 -3.258289423e+00 2.30 -3.541636195e+00 -3.541636195e+00 2.32 -3.799298810e+00 -3.799298810e+00 2.34 -4.033221637e+00 -4.033221637e+00 2.36 -4.245197320e+00 -4.245197320e+00 2.38 -4.436853714e+00 -4.436853714e+00 2.40 -4.609654779e+00 -4.609654779e+00 2.42 -4.764921841e+00 -4.764921841e+00 2.44 -4.903858672e+00 -4.903858672e+00 2.46 -5.027583544e+00 -5.027583544e+00 2.48 -5.137143851e+00 -5.137143851e+00 2.50 -5.233563260e+00 -5.233563260e+00 2.52 -5.317740815e+00 -5.317740815e+00 2.54 -5.390399699e+00 -5.390399699e+00 2.56 -5.452095100e+00 -5.452095100e+00 2.58 -5.503370673e+00 -5.503370673e+00 2.60 -5.544826228e+00 -5.544826228e+00 2.62 -5.576992055e+00 -5.576992055e+00 2.64 -5.600368882e+00 -5.600368882e+00 2.66 -5.615344783e+00 -5.615344783e+00 2.68 -5.622218265e+00 -5.622218265e+00 2.70 -5.621344305e+00 -5.621344305e+00 2.72 -5.613135064e+00 -5.613135064e+00 2.74 -5.597975923e+00 -5.597975923e+00 2.76 -5.576163778e+00 -5.576163778e+00 2.78 -5.548006196e+00 -5.548006196e+00 2.80 -5.513820468e+00 -5.513820468e+00 2.82 -5.473907848e+00 -5.473907848e+00 2.84 -5.428561256e+00 -5.428561256e+00 2.86 -5.378070689e+00 -5.378070689e+00 2.88 -5.322736335e+00 -5.322736335e+00 2.90 -5.262882572e+00 -5.262882572e+00 2.92 -5.198869249e+00 -5.198869249e+00 2.94 -5.131311185e+00 -5.131311185e+00 2.96 -5.060771380e+00 -5.060771380e+00 2.98 -4.987421419e+00 -4.987421419e+00 3.00 -4.911502413e+00 -4.911502413e+00 3.02 -4.833302895e+00 -4.833302895e+00 3.04 -4.753128679e+00 -4.753128679e+00 3.06 -4.671290180e+00 -4.671290180e+00 3.08 -4.588061430e+00 -4.588061430e+00 3.10 -4.503678955e+00 -4.503678955e+00 3.12 -4.418332412e+00 -4.418332412e+00 3.14 -4.332198951e+00 -4.332198951e+00 3.16 -4.245404390e+00 -4.245404390e+00 3.18 -4.158024226e+00 -4.158024226e+00 3.20 -4.070090191e+00 -4.070090191e+00 3.22 -3.981601999e+00 -3.981601999e+00 3.24 -3.892541310e+00 -3.892541310e+00 3.26 -3.802887306e+00 -3.802887306e+00 3.28 -3.712632559e+00 -3.712632559e+00 3.30 -3.621797288e+00 -3.621797288e+00 3.32 -3.530440112e+00 -3.530440112e+00 3.34 -3.438664028e+00 -3.438664028e+00 3.36 -3.346617407e+00 -3.346617407e+00 3.38 -3.254490708e+00 -3.254490708e+00 3.40 -3.162508875e+00 -3.162508875e+00 3.42 -3.070927876e+00 -3.070927876e+00 3.44 -2.980016864e+00 -2.980016864e+00 3.46 -2.890053125e+00 -2.890053125e+00 3.48 -2.801309334e+00 -2.801309334e+00 3.50 -2.714042483e+00 -2.714042483e+00 3.52 -2.628483747e+00 -2.628483747e+00 3.54 -2.544830110e+00 -2.544830110e+00 3.56 -2.463238446e+00 -2.463238446e+00 3.58 -2.383822448e+00 -2.383822448e+00 3.60 -2.306652474e+00 -2.306652474e+00 3.62 -2.231758052e+00 -2.231758052e+00 3.64 -2.159132594e+00 -2.159132594e+00 3.66 -2.088739722e+00 -2.088739722e+00 3.68 -2.020520633e+00 -2.020520633e+00 3.70 -1.954401932e+00 -1.954401932e+00 3.72 -1.890303436e+00 -1.890303436e+00 3.74 -1.828145490e+00 -1.828145490e+00 3.76 -1.767855379e+00 -1.767855379e+00 3.78 -1.709372393e+00 -1.709372393e+00 3.80 -1.652651138e+00 -1.652651138e+00 3.82 -1.597662743e+00 -1.597662743e+00 3.84 -1.544393743e+00 -1.544393743e+00 3.86 -1.492842716e+00 -1.492842716e+00 3.88 -1.443015025e+00 -1.443015025e+00 3.90 -1.394916446e+00 -1.394916446e+00 3.92 -1.348544795e+00 -1.348544795e+00 3.94 -1.303892067e+00 -1.303892067e+00 3.96 -1.260928284e+00 -1.260928284e+00 3.98 -1.219608488e+00 -1.219608488e+00 4.00 -1.179870950e+00 -1.179870950e+00 4.02 -1.141639469e+00 -1.141639469e+00 4.04 -1.104826801e+00 -1.104826801e+00 4.06 -1.069338547e+00 -1.069338547e+00 4.08 -1.035076923e+00 -1.035076923e+00 4.10 -1.001940107e+00 -1.001940107e+00 4.12 -9.698413586e-01 -9.698413586e-01 4.14 -9.386849781e-01 -9.386849781e-01 4.16 -9.083860614e-01 -9.083860614e-01 4.18 -8.788666478e-01 -8.788666478e-01 4.20 -8.500565043e-01 -8.500565043e-01 4.22 -8.218938051e-01 -8.218938051e-01 4.24 -7.943258017e-01 -7.943258017e-01 4.26 -7.673095290e-01 -7.673095290e-01 4.28 -7.408125385e-01 -7.408125385e-01 4.30 -7.148135981e-01 -7.148135981e-01 4.32 -6.893032461e-01 -6.893032461e-01 4.34 -6.642840563e-01 -6.642840563e-01 4.36 -6.397704508e-01 -6.397704508e-01 4.38 -6.157879113e-01 -6.157879113e-01 4.40 -5.923714877e-01 -5.923714877e-01 4.42 -5.695635810e-01 -5.695635810e-01 4.44 -5.474110805e-01 -5.474110805e-01 4.46 -5.259620493e-01 -5.259620493e-01 4.48 -5.052622398e-01 -5.052622398e-01 4.50 -4.853517748e-01 -4.853517748e-01 4.52 -4.662623239e-01 -4.662623239e-01 4.54 -4.480150396e-01 -4.480150396e-01 4.56 -4.306194099e-01 -4.306194099e-01 4.58 -4.140730585e-01 -4.140730585e-01 4.60 -3.983623997e-01 -3.983623997e-01 4.62 -3.834639681e-01 -3.834639681e-01 4.64 -3.693461947e-01 -3.693461947e-01 4.66 -3.559713936e-01 -3.559713936e-01 4.68 -3.432977572e-01 -3.432977572e-01 4.70 -3.312811990e-01 -3.312811990e-01 4.72 -3.198767174e-01 -3.198767174e-01 4.74 -3.090401540e-01 -3.090401540e-01 4.76 -2.987290898e-01 -2.987290898e-01 4.78 -2.889032382e-01 -2.889032382e-01 4.80 -2.795217396e-01 -2.795217396e-01 4.82 -2.705566599e-01 -2.705566599e-01 4.84 -2.619722756e-01 -2.619722756e-01 4.86 -2.537395602e-01 -2.537395602e-01 4.88 -2.458322098e-01 -2.458322098e-01 4.90 -2.382264490e-01 -2.382264490e-01 4.92 -2.309008067e-01 -2.309008067e-01 4.94 -2.238358821e-01 -2.238358821e-01 4.96 -2.170141108e-01 -2.170141108e-01 4.98 -2.104195431e-01 -2.104195431e-01 5.00 -2.040376365e-01 -2.040376365e-01 5.02 -1.978550689e-01 -1.978550689e-01 5.04 -1.918595718e-01 -1.918595718e-01 5.06 -1.860397855e-01 -1.860397855e-01 5.08 -1.803851373e-01 -1.803851373e-01 5.10 -1.748857407e-01 -1.748857407e-01 5.12 -1.695323177e-01 -1.695323177e-01 5.14 -1.643161432e-01 -1.643161432e-01 5.16 -1.592290122e-01 -1.592290122e-01 5.18 -1.542632301e-01 -1.542632301e-01 5.20 -1.494116257e-01 -1.494116257e-01 5.22 -1.446675878e-01 -1.446675878e-01 5.24 -1.400251225e-01 -1.400251225e-01 5.26 -1.354789319e-01 -1.354789319e-01 5.28 -1.310245066e-01 -1.310245066e-01 5.30 -1.266582297e-01 -1.266582297e-01 5.32 -1.223774811e-01 -1.223774811e-01 5.34 -1.181807310e-01 -1.181807310e-01 5.36 -1.140676123e-01 -1.140676123e-01 5.38 -1.100389540e-01 -1.100389540e-01 5.40 -1.060967603e-01 -1.060967603e-01 5.42 -1.022441270e-01 -1.022441270e-01 5.44 -9.848508503e-02 -9.848508503e-02 5.46 -9.482437300e-02 -9.482437300e-02 5.48 -9.126714243e-02 -9.126714243e-02 5.50 -8.781862141e-02 -8.781862141e-02 5.52 -8.448375838e-02 -8.448375838e-02 5.54 -8.126687355e-02 -8.126687355e-02 5.56 -7.817134992e-02 -7.817134992e-02 5.58 -7.519939024e-02 -7.519939024e-02 5.60 -7.235174201e-02 -7.235174201e-02 5.62 -6.962780247e-02 -6.962780247e-02 5.64 -6.702576142e-02 -6.702576142e-02 5.66 -6.454248628e-02 -6.454248628e-02 5.68 -6.217368940e-02 -6.217368940e-02 5.70 -5.991413422e-02 -5.991413422e-02 5.72 -5.775785746e-02 -5.775785746e-02 5.74 -5.569838868e-02 -5.569838868e-02 5.76 -5.372895307e-02 -5.372895307e-02 5.78 -5.184264807e-02 -5.184264807e-02 5.80 -5.003258926e-02 -5.003258926e-02 5.82 -4.829202464e-02 -4.829202464e-02 5.84 -4.661441940e-02 -4.661441940e-02 5.86 -4.499351485e-02 -4.499351485e-02 5.88 -4.342336657e-02 -4.342336657e-02 5.90 -4.189836664e-02 -4.189836664e-02 5.92 -4.041325517e-02 -4.041325517e-02 5.94 -3.896312552e-02 -3.896312552e-02 5.96 -3.754342725e-02 -3.754342725e-02 5.98 -3.614997000e-02 -3.614997000e-02 6.00 -3.477893101e-02 -3.477893101e-02