# 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 = Co2MgPt # 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 2.600334490e+02 2.600334490e+02 1.30 2.405263683e+02 2.405263683e+02 1.32 2.224429722e+02 2.224429722e+02 1.34 2.056763983e+02 2.056763983e+02 1.36 1.901321930e+02 1.901321930e+02 1.38 1.757201697e+02 1.757201697e+02 1.40 1.623505124e+02 1.623505124e+02 1.42 1.499354661e+02 1.499354661e+02 1.44 1.383937272e+02 1.383937272e+02 1.46 1.276542536e+02 1.276542536e+02 1.48 1.176570846e+02 1.176570846e+02 1.50 1.083508018e+02 1.083508018e+02 1.52 9.968867716e+01 9.968867716e+01 1.54 9.162591799e+01 9.162591799e+01 1.56 8.411879854e+01 8.411879854e+01 1.58 7.712507468e+01 7.712507468e+01 1.60 7.060472391e+01 7.060472391e+01 1.62 6.452057148e+01 6.452057148e+01 1.64 5.883884865e+01 5.883884865e+01 1.66 5.354936552e+01 5.354936552e+01 1.68 4.867887799e+01 4.867887799e+01 1.70 4.419965561e+01 4.419965561e+01 1.72 4.008333990e+01 4.008333990e+01 1.74 3.630370262e+01 3.630370262e+01 1.76 3.283564821e+01 3.283564821e+01 1.78 2.965480559e+01 2.965480559e+01 1.80 2.673777477e+01 2.673777477e+01 1.82 2.406261498e+01 2.406261498e+01 1.84 2.160910761e+01 2.160910761e+01 1.86 1.935868695e+01 1.935868695e+01 1.88 1.729421246e+01 1.729421246e+01 1.90 1.539980704e+01 1.539980704e+01 1.92 1.366084222e+01 1.366084222e+01 1.94 1.206402375e+01 1.206402375e+01 1.96 1.059745487e+01 1.059745487e+01 1.98 9.250596813e+00 9.250596813e+00 2.00 8.014115718e+00 8.014115718e+00 2.02 6.879670322e+00 6.879670322e+00 2.04 5.839707699e+00 5.839707699e+00 2.06 4.887299419e+00 4.887299419e+00 2.08 4.016018843e+00 4.016018843e+00 2.10 3.219850782e+00 3.219850782e+00 2.12 2.493133573e+00 2.493133573e+00 2.14 1.830533126e+00 1.830533126e+00 2.16 1.227048219e+00 1.227048219e+00 2.18 6.780331836e-01 6.780331836e-01 2.20 1.792208058e-01 1.792208058e-01 2.22 -2.732721994e-01 -2.732721994e-01 2.24 -6.829595525e-01 -6.829595525e-01 2.26 -1.053015276e+00 -1.053015276e+00 2.28 -1.386311935e+00 -1.386311935e+00 2.30 -1.685460941e+00 -1.685460941e+00 2.32 -1.952855790e+00 -1.952855790e+00 2.34 -2.191097491e+00 -2.191097491e+00 2.36 -2.403505559e+00 -2.403505559e+00 2.38 -2.591716063e+00 -2.591716063e+00 2.40 -2.757216957e+00 -2.757216957e+00 2.42 -2.901514191e+00 -2.901514191e+00 2.44 -3.026127945e+00 -3.026127945e+00 2.46 -3.132584447e+00 -3.132584447e+00 2.48 -3.222417656e+00 -3.222417656e+00 2.50 -3.297224131e+00 -3.297224131e+00 2.52 -3.358417623e+00 -3.358417623e+00 2.54 -3.407360433e+00 -3.407360433e+00 2.56 -3.445387078e+00 -3.445387078e+00 2.58 -3.473772005e+00 -3.473772005e+00 2.60 -3.493688950e+00 -3.493688950e+00 2.62 -3.506170281e+00 -3.506170281e+00 2.64 -3.512072489e+00 -3.512072489e+00 2.66 -3.511989861e+00 -3.511989861e+00 2.68 -3.506316280e+00 -3.506316280e+00 2.70 -3.495350673e+00 -3.495350673e+00 2.72 -3.479327510e+00 -3.479327510e+00 2.74 -3.458444376e+00 -3.458444376e+00 2.76 -3.432882840e+00 -3.432882840e+00 2.78 -3.402821340e+00 -3.402821340e+00 2.80 -3.368442762e+00 -3.368442762e+00 2.82 -3.329937943e+00 -3.329937943e+00 2.84 -3.287510655e+00 -3.287510655e+00 2.86 -3.241383843e+00 -3.241383843e+00 2.88 -3.191808589e+00 -3.191808589e+00 2.90 -3.139074796e+00 -3.139074796e+00 2.92 -3.083521290e+00 -3.083521290e+00 2.94 -3.025541969e+00 -3.025541969e+00 2.96 -2.965584391e+00 -2.965584391e+00 2.98 -2.904138240e+00 -2.904138240e+00 3.00 -2.841713531e+00 -2.841713531e+00 3.02 -2.778811400e+00 -2.778811400e+00 3.04 -2.715892543e+00 -2.715892543e+00 3.06 -2.653371731e+00 -2.653371731e+00 3.08 -2.591680551e+00 -2.591680551e+00 3.10 -2.531150585e+00 -2.531150585e+00 3.12 -2.471978738e+00 -2.471978738e+00 3.14 -2.414254984e+00 -2.414254984e+00 3.16 -2.357990966e+00 -2.357990966e+00 3.18 -2.303148674e+00 -2.303148674e+00 3.20 -2.249663230e+00 -2.249663230e+00 3.22 -2.197460011e+00 -2.197460011e+00 3.24 -2.146474338e+00 -2.146474338e+00 3.26 -2.096650427e+00 -2.096650427e+00 3.28 -2.047920044e+00 -2.047920044e+00 3.30 -2.000229996e+00 -2.000229996e+00 3.32 -1.953541293e+00 -1.953541293e+00 3.34 -1.907826590e+00 -1.907826590e+00 3.36 -1.863067298e+00 -1.863067298e+00 3.38 -1.819250818e+00 -1.819250818e+00 3.40 -1.776368109e+00 -1.776368109e+00 3.42 -1.734404987e+00 -1.734404987e+00 3.44 -1.693328678e+00 -1.693328678e+00 3.46 -1.653108096e+00 -1.653108096e+00 3.48 -1.613716650e+00 -1.613716650e+00 3.50 -1.575130972e+00 -1.575130972e+00 3.52 -1.537329827e+00 -1.537329827e+00 3.54 -1.500293157e+00 -1.500293157e+00 3.56 -1.464001259e+00 -1.464001259e+00 3.58 -1.428434108e+00 -1.428434108e+00 3.60 -1.393570861e+00 -1.393570861e+00 3.62 -1.359389550e+00 -1.359389550e+00 3.64 -1.325866989e+00 -1.325866989e+00 3.66 -1.292978892e+00 -1.292978892e+00 3.68 -1.260700188e+00 -1.260700188e+00 3.70 -1.229005493e+00 -1.229005493e+00 3.72 -1.197869677e+00 -1.197869677e+00 3.74 -1.167268462e+00 -1.167268462e+00 3.76 -1.137178961e+00 -1.137178961e+00 3.78 -1.107580081e+00 -1.107580081e+00 3.80 -1.078452730e+00 -1.078452730e+00 3.82 -1.049779791e+00 -1.049779791e+00 3.84 -1.021545859e+00 -1.021545859e+00 3.86 -9.937367534e-01 -9.937367534e-01 3.88 -9.663388942e-01 -9.663388942e-01 3.90 -9.393386077e-01 -9.393386077e-01 3.92 -9.127214427e-01 -9.127214427e-01 3.94 -8.864719126e-01 -8.864719126e-01 3.96 -8.605729816e-01 -8.605729816e-01 3.98 -8.350064789e-01 -8.350064789e-01 4.00 -8.097536258e-01 -8.097536258e-01 4.02 -7.847960421e-01 -7.847960421e-01 4.04 -7.601171354e-01 -7.601171354e-01 4.06 -7.357037957e-01 -7.357037957e-01 4.08 -7.115482748e-01 -7.115482748e-01 4.10 -6.876498342e-01 -6.876498342e-01 4.12 -6.640175231e-01 -6.640175231e-01 4.14 -6.406697808e-01 -6.406697808e-01 4.16 -6.176362454e-01 -6.176362454e-01 4.18 -5.949571732e-01 -5.949571732e-01 4.20 -5.726821627e-01 -5.726821627e-01 4.22 -5.508678563e-01 -5.508678563e-01 4.24 -5.295747501e-01 -5.295747501e-01 4.26 -5.088633887e-01 -5.088633887e-01 4.28 -4.887903221e-01 -4.887903221e-01 4.30 -4.694042536e-01 -4.694042536e-01 4.32 -4.507427825e-01 -4.507427825e-01 4.34 -4.328300595e-01 -4.328300595e-01 4.36 -4.156755422e-01 -4.156755422e-01 4.38 -3.992738848e-01 -3.992738848e-01 4.40 -3.836058540e-01 -3.836058540e-01 4.42 -3.686400509e-01 -3.686400509e-01 4.44 -3.543351595e-01 -3.543351595e-01 4.46 -3.406424325e-01 -3.406424325e-01 4.48 -3.275081622e-01 -3.275081622e-01 4.50 -3.148759516e-01 -3.148759516e-01 4.52 -3.026886768e-01 -3.026886768e-01 4.54 -2.908901047e-01 -2.908901047e-01 4.56 -2.794261847e-01 -2.794261847e-01 4.58 -2.682460691e-01 -2.682460691e-01 4.60 -2.573029337e-01 -2.573029337e-01 4.62 -2.465546697e-01 -2.465546697e-01 4.64 -2.359645076e-01 -2.359645076e-01 4.66 -2.255016119e-01 -2.255016119e-01 4.68 -2.151416647e-01 -2.151416647e-01 4.70 -2.048674276e-01 -2.048674276e-01 4.72 -1.946692475e-01 -1.946692475e-01 4.74 -1.845454507e-01 -1.845454507e-01 4.76 -1.745025546e-01 -1.745025546e-01 4.78 -1.645552203e-01 -1.645552203e-01 4.80 -1.547256799e-01 -1.547256799e-01 4.82 -1.450438188e-01 -1.450438188e-01 4.84 -1.355447274e-01 -1.355447274e-01 4.86 -1.262681085e-01 -1.262681085e-01 4.88 -1.172562265e-01 -1.172562265e-01 4.90 -1.085519032e-01 -1.085519032e-01 4.92 -1.001964528e-01 -1.001964528e-01 4.94 -9.222769962e-02 -9.222769962e-02 4.96 -8.467822186e-02 -8.467822186e-02 4.98 -7.757393306e-02 -7.757393306e-02 5.00 -7.093309136e-02 -7.093309136e-02 5.02 -6.476580204e-02 -6.476580204e-02 5.04 -5.907399013e-02 -5.907399013e-02 5.06 -5.385182531e-02 -5.385182531e-02 5.08 -4.908608788e-02 -4.908608788e-02 5.10 -4.475761144e-02 -4.475761144e-02 5.12 -4.084361846e-02 -4.084361846e-02 5.14 -3.731769487e-02 -3.731769487e-02 5.16 -3.415106699e-02 -3.415106699e-02 5.18 -3.131410808e-02 -3.131410808e-02 5.20 -2.877677047e-02 -2.877677047e-02 5.22 -2.650942735e-02 -2.650942735e-02 5.24 -2.448384091e-02 -2.448384091e-02 5.26 -2.267356631e-02 -2.267356631e-02 5.28 -2.105420047e-02 -2.105420047e-02 5.30 -1.960350246e-02 -1.960350246e-02 5.32 -1.830141363e-02 -1.830141363e-02 5.34 -1.713000319e-02 -1.713000319e-02 5.36 -1.607336192e-02 -1.607336192e-02 5.38 -1.511746247e-02 -1.511746247e-02 5.40 -1.425000082e-02 -1.425000082e-02 5.42 -1.346023007e-02 -1.346023007e-02 5.44 -1.273877342e-02 -1.273877342e-02 5.46 -1.207746840e-02 -1.207746840e-02 5.48 -1.146928722e-02 -1.146928722e-02 5.50 -1.090813836e-02 -1.090813836e-02 5.52 -1.038873882e-02 -1.038873882e-02 5.54 -9.906501852e-03 -9.906501852e-03 5.56 -9.457437573e-03 -9.457437573e-03 5.58 -9.038066178e-03 -9.038066178e-03 5.60 -8.645343093e-03 -8.645343093e-03 5.62 -8.276595046e-03 -8.276595046e-03 5.64 -7.929465939e-03 -7.929465939e-03 5.66 -7.601871295e-03 -7.601871295e-03 5.68 -7.291960015e-03 -7.291960015e-03 5.70 -6.998082295e-03 -6.998082295e-03 5.72 -6.718762610e-03 -6.718762610e-03 5.74 -6.452676863e-03 -6.452676863e-03 5.76 -6.198632942e-03 -6.198632942e-03 5.78 -5.955554067e-03 -5.955554067e-03 5.80 -5.722464479e-03 -5.722464479e-03 5.82 -5.498477113e-03 -5.498477113e-03 5.84 -5.282783010e-03 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