# 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 = Ag2MgPb # 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 3.254469208e+02 3.254469208e+02 1.30 3.023290911e+02 3.023290911e+02 1.32 2.809074198e+02 2.809074198e+02 1.34 2.610462858e+02 2.610462858e+02 1.36 2.426220588e+02 2.426220588e+02 1.38 2.255219233e+02 2.255219233e+02 1.40 2.096428500e+02 2.096428500e+02 1.42 1.948907896e+02 1.948907896e+02 1.44 1.811798419e+02 1.811798419e+02 1.46 1.684313631e+02 1.684313631e+02 1.48 1.565732547e+02 1.565732547e+02 1.50 1.455394759e+02 1.455394759e+02 1.52 1.352695605e+02 1.352695605e+02 1.54 1.257079688e+02 1.257079688e+02 1.56 1.168033989e+02 1.168033989e+02 1.58 1.085082791e+02 1.085082791e+02 1.60 1.007784907e+02 1.007784907e+02 1.62 9.357324464e+01 9.357324464e+01 1.64 8.685768847e+01 8.685768847e+01 1.66 8.060547020e+01 8.060547020e+01 1.68 7.478442035e+01 7.478442035e+01 1.70 6.936423238e+01 6.936423238e+01 1.72 6.431674305e+01 6.431674305e+01 1.74 5.961568192e+01 5.961568192e+01 1.76 5.523652363e+01 5.523652363e+01 1.78 5.115643434e+01 5.115643434e+01 1.80 4.735427596e+01 4.735427596e+01 1.82 4.381061748e+01 4.381061748e+01 1.84 4.050767439e+01 4.050767439e+01 1.86 3.742915964e+01 3.742915964e+01 1.88 3.456008350e+01 3.456008350e+01 1.90 3.188654863e+01 3.188654863e+01 1.92 2.939558530e+01 2.939558530e+01 1.94 2.707504169e+01 2.707504169e+01 1.96 2.491351900e+01 2.491351900e+01 1.98 2.290034360e+01 2.290034360e+01 2.00 2.102554520e+01 2.102554520e+01 2.02 1.927982527e+01 1.927982527e+01 2.04 1.765451356e+01 1.765451356e+01 2.06 1.614152287e+01 1.614152287e+01 2.08 1.473330805e+01 1.473330805e+01 2.10 1.342283364e+01 1.342283364e+01 2.12 1.220354437e+01 1.220354437e+01 2.14 1.106933523e+01 1.106933523e+01 2.16 1.001452315e+01 1.001452315e+01 2.18 9.033819213e+00 9.033819213e+00 2.20 8.122302697e+00 8.122302697e+00 2.22 7.275397990e+00 7.275397990e+00 2.24 6.488853239e+00 6.488853239e+00 2.26 5.758719513e+00 5.758719513e+00 2.28 5.081324708e+00 5.081324708e+00 2.30 4.453252419e+00 4.453252419e+00 2.32 3.871307761e+00 3.871307761e+00 2.34 3.332496872e+00 3.332496872e+00 2.36 2.834000838e+00 2.834000838e+00 2.38 2.373161022e+00 2.373161022e+00 2.40 1.947469759e+00 1.947469759e+00 2.42 1.554565014e+00 1.554565014e+00 2.44 1.192227157e+00 1.192227157e+00 2.46 8.583742916e-01 8.583742916e-01 2.48 5.510564418e-01 5.510564418e-01 2.50 2.684484184e-01 2.684484184e-01 2.52 8.842088228e-03 8.842088228e-03 2.54 -2.293616632e-01 -2.293616632e-01 2.56 -4.476613301e-01 -4.476613301e-01 2.58 -6.474633285e-01 -6.474633285e-01 2.60 -8.300895337e-01 -8.300895337e-01 2.62 -9.967813897e-01 -9.967813897e-01 2.64 -1.148703248e+00 -1.148703248e+00 2.66 -1.286935638e+00 -1.286935638e+00 2.68 -1.412475136e+00 -1.412475136e+00 2.70 -1.526232752e+00 -1.526232752e+00 2.72 -1.629037321e+00 -1.629037321e+00 2.74 -1.721642785e+00 -1.721642785e+00 2.76 -1.804737672e+00 -1.804737672e+00 2.78 -1.878954421e+00 -1.878954421e+00 2.80 -1.944879542e+00 -1.944879542e+00 2.82 -2.003203805e+00 -2.003203805e+00 2.84 -2.054430718e+00 -2.054430718e+00 2.86 -2.098865959e+00 -2.098865959e+00 2.88 -2.136821614e+00 -2.136821614e+00 2.90 -2.168613278e+00 -2.168613278e+00 2.92 -2.194558274e+00 -2.194558274e+00 2.94 -2.214974989e+00 -2.214974989e+00 2.96 -2.230183256e+00 -2.230183256e+00 2.98 -2.240506216e+00 -2.240506216e+00 3.00 -2.246281051e+00 -2.246281051e+00 3.02 -2.247855569e+00 -2.247855569e+00 3.04 -2.245578266e+00 -2.245578266e+00 3.06 -2.239825640e+00 -2.239825640e+00 3.08 -2.230939231e+00 -2.230939231e+00 3.10 -2.219218849e+00 -2.219218849e+00 3.12 -2.204954877e+00 -2.204954877e+00 3.14 -2.188424960e+00 -2.188424960e+00 3.16 -2.169884167e+00 -2.169884167e+00 3.18 -2.149566121e+00 -2.149566121e+00 3.20 -2.127681389e+00 -2.127681389e+00 3.22 -2.104418996e+00 -2.104418996e+00 3.24 -2.079954542e+00 -2.079954542e+00 3.26 -2.054416191e+00 -2.054416191e+00 3.28 -2.027913514e+00 -2.027913514e+00 3.30 -2.000546978e+00 -2.000546978e+00 3.32 -1.972409295e+00 -1.972409295e+00 3.34 -1.943586678e+00 -1.943586678e+00 3.36 -1.914159935e+00 -1.914159935e+00 3.38 -1.884205364e+00 -1.884205364e+00 3.40 -1.853794020e+00 -1.853794020e+00 3.42 -1.822978181e+00 -1.822978181e+00 3.44 -1.791797652e+00 -1.791797652e+00 3.46 -1.760295179e+00 -1.760295179e+00 3.48 -1.728515709e+00 -1.728515709e+00 3.50 -1.696505582e+00 -1.696505582e+00 3.52 -1.664311739e+00 -1.664311739e+00 3.54 -1.631980988e+00 -1.631980988e+00 3.56 -1.599559401e+00 -1.599559401e+00 3.58 -1.567091875e+00 -1.567091875e+00 3.60 -1.534621860e+00 -1.534621860e+00 3.62 -1.502191269e+00 -1.502191269e+00 3.64 -1.469840497e+00 -1.469840497e+00 3.66 -1.437608523e+00 -1.437608523e+00 3.68 -1.405532995e+00 -1.405532995e+00 3.70 -1.373650251e+00 -1.373650251e+00 3.72 -1.341995200e+00 -1.341995200e+00 3.74 -1.310601072e+00 -1.310601072e+00 3.76 -1.279499041e+00 -1.279499041e+00 3.78 -1.248717797e+00 -1.248717797e+00 3.80 -1.218283162e+00 -1.218283162e+00 3.82 -1.188217816e+00 -1.188217816e+00 3.84 -1.158541200e+00 -1.158541200e+00 3.86 -1.129269582e+00 -1.129269582e+00 3.88 -1.100416262e+00 -1.100416262e+00 3.90 -1.071991846e+00 -1.071991846e+00 3.92 -1.044004121e+00 -1.044004121e+00 3.94 -1.016460079e+00 -1.016460079e+00 3.96 -9.893633860e-01 -9.893633860e-01 3.98 -9.627165283e-01 -9.627165283e-01 4.00 -9.365204781e-01 -9.365204781e-01 4.02 -9.107748747e-01 -9.107748747e-01 4.04 -8.854782170e-01 -8.854782170e-01 4.06 -8.606280799e-01 -8.606280799e-01 4.08 -8.362213642e-01 -8.362213642e-01 4.10 -8.122532710e-01 -8.122532710e-01 4.12 -7.887231601e-01 -7.887231601e-01 4.14 -7.656262444e-01 -7.656262444e-01 4.16 -7.429601199e-01 -7.429601199e-01 4.18 -7.207235795e-01 -7.207235795e-01 4.20 -6.989170256e-01 -6.989170256e-01 4.22 -6.775428161e-01 -6.775428161e-01 4.24 -6.566054901e-01 -6.566054901e-01 4.26 -6.361118169e-01 -6.361118169e-01 4.28 -6.160706240e-01 -6.160706240e-01 4.30 -5.964923749e-01 -5.964923749e-01 4.32 -5.773885028e-01 -5.773885028e-01 4.34 -5.587705375e-01 -5.587705375e-01 4.36 -5.406491040e-01 -5.406491040e-01 4.38 -5.230328948e-01 -5.230328948e-01 4.40 -5.059277309e-01 -5.059277309e-01 4.42 -4.893358135e-01 -4.893358135e-01 4.44 -4.732552448e-01 -4.732552448e-01 4.46 -4.576798496e-01 -4.576798496e-01 4.48 -4.425992916e-01 -4.425992916e-01 4.50 -4.279994372e-01 -4.279994372e-01 4.52 -4.138629000e-01 -4.138629000e-01 4.54 -4.001696884e-01 -4.001696884e-01 4.56 -3.868978854e-01 -3.868978854e-01 4.58 -3.740243044e-01 -3.740243044e-01 4.60 -3.615250834e-01 -3.615250834e-01 4.62 -3.493761991e-01 -3.493761991e-01 4.64 -3.375538999e-01 -3.375538999e-01 4.66 -3.260350646e-01 -3.260350646e-01 4.68 -3.147975056e-01 -3.147975056e-01 4.70 -3.038202344e-01 -3.038202344e-01 4.72 -2.930837074e-01 -2.930837074e-01 4.74 -2.825700700e-01 -2.825700700e-01 4.76 -2.722634060e-01 -2.722634060e-01 4.78 -2.621500007e-01 -2.621500007e-01 4.80 -2.522176661e-01 -2.522176661e-01 4.82 -2.424599492e-01 -2.424599492e-01 4.84 -2.328702237e-01 -2.328702237e-01 4.86 -2.234461945e-01 -2.234461945e-01 4.88 -2.141889017e-01 -2.141889017e-01 4.90 -2.051027453e-01 -2.051027453e-01 4.92 -1.961953708e-01 -1.961953708e-01 4.94 -1.874773910e-01 -1.874773910e-01 4.96 -1.789619311e-01 -1.789619311e-01 4.98 -1.706640036e-01 -1.706640036e-01 5.00 -1.625997379e-01 -1.625997379e-01 5.02 -1.547855105e-01 -1.547855105e-01 5.04 -1.472370390e-01 -1.472370390e-01 5.06 -1.399685120e-01 -1.399685120e-01 5.08 -1.329918222e-01 -1.329918222e-01 5.10 -1.263159720e-01 -1.263159720e-01 5.12 -1.199466885e-01 -1.199466885e-01 5.14 -1.138862656e-01 -1.138862656e-01 5.16 -1.081336246e-01 -1.081336246e-01 5.18 -1.026845607e-01 -1.026845607e-01 5.20 -9.753213607e-02 -9.753213607e-02 5.22 -9.266716124e-02 -9.266716124e-02 5.24 -8.807871645e-02 -8.807871645e-02 5.26 -8.375464460e-02 -8.375464460e-02 5.28 -7.968167971e-02 -7.968167971e-02 5.30 -7.584649004e-02 -7.584649004e-02 5.32 -7.223596543e-02 -7.223596543e-02 5.34 -6.883707608e-02 -6.883707608e-02 5.36 -6.563672249e-02 -6.563672249e-02 5.38 -6.262220095e-02 -6.262220095e-02 5.40 -5.978207538e-02 -5.978207538e-02 5.42 -5.710527633e-02 -5.710527633e-02 5.44 -5.458113803e-02 -5.458113803e-02 5.46 -5.219943005e-02 -5.219943005e-02 5.48 -4.995036969e-02 -4.995036969e-02 5.50 -4.782462144e-02 -4.782462144e-02 5.52 -4.581328858e-02 -4.581328858e-02 5.54 -4.390790069e-02 -4.390790069e-02 5.56 -4.210039998e-02 -4.210039998e-02 5.58 -4.038312879e-02 -4.038312879e-02 5.60 -3.874881963e-02 -3.874881963e-02 5.62 -3.719058843e-02 -3.719058843e-02 5.64 -3.570193103e-02 -3.570193103e-02 5.66 -3.427672233e-02 -3.427672233e-02 5.68 -3.290921732e-02 -3.290921732e-02 5.70 -3.159405313e-02 -3.159405313e-02 5.72 -3.032625128e-02 -3.032625128e-02 5.74 -2.910121973e-02 -2.910121973e-02 5.76 -2.791475454e-02 -2.791475454e-02 5.78 -2.676304115e-02 -2.676304115e-02 5.80 -2.564265498e-02 -2.564265498e-02 5.82 -2.455056257e-02 -2.455056257e-02 5.84 -2.348412250e-02 -2.348412250e-02 5.86 -2.244108635e-02 -2.244108635e-02 5.88 -2.141959909e-02 -2.141959909e-02 5.90 -2.041819855e-02 -2.041819855e-02 5.92 -1.943581282e-02 -1.943581282e-02 5.94 -1.847175450e-02 -1.847175450e-02 5.96 -1.752571053e-02 -1.752571053e-02 5.98 -1.659772635e-02 -1.659772635e-02 6.00 -1.568818308e-02 -1.568818308e-02