# 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 = AlPbPt2 # 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 3.347786643e+02 3.347786643e+02 1.30 3.132370804e+02 3.132370804e+02 1.32 2.930779083e+02 2.930779083e+02 1.34 2.742009699e+02 2.742009699e+02 1.36 2.565135672e+02 2.565135672e+02 1.38 2.399280549e+02 2.399280549e+02 1.40 2.243643852e+02 2.243643852e+02 1.42 2.097540742e+02 2.097540742e+02 1.44 1.960396186e+02 1.960396186e+02 1.46 1.831701495e+02 1.831701495e+02 1.48 1.710976468e+02 1.710976468e+02 1.50 1.597743674e+02 1.597743674e+02 1.52 1.491505319e+02 1.491505319e+02 1.54 1.391733553e+02 1.391733553e+02 1.56 1.297887126e+02 1.297887126e+02 1.58 1.209444032e+02 1.209444032e+02 1.60 1.125931653e+02 1.125931653e+02 1.62 1.046943768e+02 1.046943768e+02 1.64 9.721450572e+01 9.721450572e+01 1.66 9.012664746e+01 9.012664746e+01 1.68 8.340950170e+01 8.340950170e+01 1.70 7.704593693e+01 7.704593693e+01 1.72 7.102121052e+01 7.102121052e+01 1.74 6.534054859e+01 6.534054859e+01 1.76 6.008050588e+01 6.008050588e+01 1.78 5.522195158e+01 5.522195158e+01 1.80 5.073014432e+01 5.073014432e+01 1.82 4.657191452e+01 4.657191452e+01 1.84 4.271814023e+01 4.271814023e+01 1.86 3.914439361e+01 3.914439361e+01 1.88 3.583055825e+01 3.583055825e+01 1.90 3.275965973e+01 3.275965973e+01 1.92 2.991645995e+01 2.991645995e+01 1.94 2.728636338e+01 2.728636338e+01 1.96 2.485497498e+01 2.485497498e+01 1.98 2.260813724e+01 2.260813724e+01 2.00 2.053214518e+01 2.053214518e+01 2.02 1.861392783e+01 1.861392783e+01 2.04 1.684115713e+01 1.684115713e+01 2.06 1.520232024e+01 1.520232024e+01 2.08 1.368676796e+01 1.368676796e+01 2.10 1.228472650e+01 1.228472650e+01 2.12 1.098725494e+01 1.098725494e+01 2.14 9.786177585e+00 9.786177585e+00 2.16 8.674015921e+00 8.674015921e+00 2.18 7.643945655e+00 7.643945655e+00 2.20 6.689772078e+00 6.689772078e+00 2.22 5.805911496e+00 5.805911496e+00 2.24 4.987359975e+00 4.987359975e+00 2.26 4.229646311e+00 4.229646311e+00 2.28 3.528770636e+00 3.528770636e+00 2.30 2.881138414e+00 2.881138414e+00 2.32 2.283489930e+00 2.283489930e+00 2.34 1.732833118e+00 1.732833118e+00 2.36 1.226380883e+00 1.226380883e+00 2.38 7.614955563e-01 7.614955563e-01 2.40 3.356441457e-01 3.356441457e-01 2.42 -5.363103887e-02 -5.363103887e-02 2.44 -4.087242818e-01 -4.087242818e-01 2.46 -7.319602774e-01 -7.319602774e-01 2.48 -1.025578792e+00 -1.025578792e+00 2.50 -1.291721696e+00 -1.291721696e+00 2.52 -1.532432044e+00 -1.532432044e+00 2.54 -1.751134953e+00 -1.751134953e+00 2.56 -1.950759086e+00 -1.950759086e+00 2.58 -2.132475884e+00 -2.132475884e+00 2.60 -2.297484052e+00 -2.297484052e+00 2.62 -2.446971252e+00 -2.446971252e+00 2.64 -2.582073502e+00 -2.582073502e+00 2.66 -2.703833813e+00 -2.703833813e+00 2.68 -2.813178084e+00 -2.813178084e+00 2.70 -2.910903406e+00 -2.910903406e+00 2.72 -2.997681885e+00 -2.997681885e+00 2.74 -3.074075479e+00 -3.074075479e+00 2.76 -3.140556555e+00 -3.140556555e+00 2.78 -3.197529592e+00 -3.197529592e+00 2.80 -3.245351983e+00 -3.245351983e+00 2.82 -3.284352481e+00 -3.284352481e+00 2.84 -3.314849852e+00 -3.314849852e+00 2.86 -3.337171957e+00 -3.337171957e+00 2.88 -3.351850227e+00 -3.351850227e+00 2.90 -3.359710100e+00 -3.359710100e+00 2.92 -3.361082626e+00 -3.361082626e+00 2.94 -3.356369867e+00 -3.356369867e+00 2.96 -3.346077977e+00 -3.346077977e+00 2.98 -3.330798715e+00 -3.330798715e+00 3.00 -3.311176830e+00 -3.311176830e+00 3.02 -3.287868117e+00 -3.287868117e+00 3.04 -3.261495977e+00 -3.261495977e+00 3.06 -3.232617762e+00 -3.232617762e+00 3.08 -3.201706767e+00 -3.201706767e+00 3.10 -3.169145394e+00 -3.169145394e+00 3.12 -3.135220752e+00 -3.135220752e+00 3.14 -3.100141357e+00 -3.100141357e+00 3.16 -3.064048821e+00 -3.064048821e+00 3.18 -3.027038541e+00 -3.027038541e+00 3.20 -2.989173074e+00 -2.989173074e+00 3.22 -2.950493233e+00 -2.950493233e+00 3.24 -2.911026081e+00 -2.911026081e+00 3.26 -2.870790621e+00 -2.870790621e+00 3.28 -2.829802073e+00 -2.829802073e+00 3.30 -2.788075445e+00 -2.788075445e+00 3.32 -2.745628702e+00 -2.745628702e+00 3.34 -2.702485498e+00 -2.702485498e+00 3.36 -2.658677296e+00 -2.658677296e+00 3.38 -2.614244633e+00 -2.614244633e+00 3.40 -2.569237349e+00 -2.569237349e+00 3.42 -2.523714389e+00 -2.523714389e+00 3.44 -2.477741885e+00 -2.477741885e+00 3.46 -2.431410048e+00 -2.431410048e+00 3.48 -2.384884389e+00 -2.384884389e+00 3.50 -2.338308918e+00 -2.338308918e+00 3.52 -2.291797654e+00 -2.291797654e+00 3.54 -2.245453782e+00 -2.245453782e+00 3.56 -2.199369156e+00 -2.199369156e+00 3.58 -2.153623960e+00 -2.153623960e+00 3.60 -2.108286594e+00 -2.108286594e+00 3.62 -2.063413793e+00 -2.063413793e+00 3.64 -2.019050967e+00 -2.019050967e+00 3.66 -1.975232724e+00 -1.975232724e+00 3.68 -1.931983243e+00 -1.931983243e+00 3.70 -1.889314042e+00 -1.889314042e+00 3.72 -1.847225765e+00 -1.847225765e+00 3.74 -1.805712524e+00 -1.805712524e+00 3.76 -1.764762726e+00 -1.764762726e+00 3.78 -1.724359917e+00 -1.724359917e+00 3.80 -1.684483661e+00 -1.684483661e+00 3.82 -1.645110452e+00 -1.645110452e+00 3.84 -1.606214682e+00 -1.606214682e+00 3.86 -1.567769638e+00 -1.567769638e+00 3.88 -1.529748520e+00 -1.529748520e+00 3.90 -1.492125441e+00 -1.492125441e+00 3.92 -1.454876069e+00 -1.454876069e+00 3.94 -1.417979853e+00 -1.417979853e+00 3.96 -1.381418797e+00 -1.381418797e+00 3.98 -1.345179741e+00 -1.345179741e+00 4.00 -1.309254773e+00 -1.309254773e+00 4.02 -1.273642026e+00 -1.273642026e+00 4.04 -1.238346445e+00 -1.238346445e+00 4.06 -1.203380471e+00 -1.203380471e+00 4.08 -1.168764546e+00 -1.168764546e+00 4.10 -1.134526558e+00 -1.134526558e+00 4.12 -1.100704752e+00 -1.100704752e+00 4.14 -1.067341899e+00 -1.067341899e+00 4.16 -1.034487365e+00 -1.034487365e+00 4.18 -1.002194095e+00 -1.002194095e+00 4.20 -9.705160601e-01 -9.705160601e-01 4.22 -9.395054636e-01 -9.395054636e-01 4.24 -9.092099881e-01 -9.092099881e-01 4.26 -8.796703617e-01 -8.796703617e-01 4.28 -8.509184542e-01 -8.509184542e-01 4.30 -8.229760003e-01 -8.229760003e-01 4.32 -7.958539361e-01 -7.958539361e-01 4.34 -7.695522485e-01 -7.695522485e-01 4.36 -7.440602019e-01 -7.440602019e-01 4.38 -7.193568212e-01 -7.193568212e-01 4.40 -6.954115488e-01 -6.954115488e-01 4.42 -6.721850415e-01 -6.721850415e-01 4.44 -6.496301034e-01 -6.496301034e-01 4.46 -6.276927610e-01 -6.276927610e-01 4.48 -6.063134811e-01 -6.063134811e-01 4.50 -5.854285166e-01 -5.854285166e-01 4.52 -5.649713563e-01 -5.649713563e-01 4.54 -5.448742510e-01 -5.448742510e-01 4.56 -5.250697966e-01 -5.250697966e-01 4.58 -5.054925661e-01 -5.054925661e-01 4.60 -4.860807949e-01 -4.860807949e-01 4.62 -4.667781294e-01 -4.667781294e-01 4.64 -4.475354430e-01 -4.475354430e-01 4.66 -4.283127108e-01 -4.283127108e-01 4.68 -4.090809034e-01 -4.090809034e-01 4.70 -3.898238236e-01 -3.898238236e-01 4.72 -3.705397684e-01 -3.705397684e-01 4.74 -3.512428590e-01 -3.512428590e-01 4.76 -3.319638518e-01 -3.319638518e-01 4.78 -3.127502390e-01 -3.127502390e-01 4.80 -2.936647530e-01 -2.936647530e-01 4.82 -2.747865722e-01 -2.747865722e-01 4.84 -2.562038960e-01 -2.562038960e-01 4.86 -2.380134860e-01 -2.380134860e-01 4.88 -2.203154359e-01 -2.203154359e-01 4.90 -2.032084203e-01 -2.032084203e-01 4.92 -1.867849675e-01 -1.867849675e-01 4.94 -1.711271565e-01 -1.711271565e-01 4.96 -1.563030945e-01 -1.563030945e-01 4.98 -1.423644304e-01 -1.423644304e-01 5.00 -1.293450338e-01 -1.293450338e-01 5.02 -1.172608321e-01 -1.172608321e-01 5.04 -1.061106859e-01 -1.061106859e-01 5.06 -9.587809218e-02 -9.587809218e-02 5.08 -8.653346593e-02 -8.653346593e-02 5.10 -7.803674287e-02 -7.803674287e-02 5.12 -7.034006838e-02 -7.034006838e-02 5.14 -6.339037363e-02 -6.339037363e-02 5.16 -5.713172217e-02 -5.713172217e-02 5.18 -5.150732114e-02 -5.150732114e-02 5.20 -4.646114564e-02 -4.646114564e-02 5.22 -4.193919341e-02 -4.193919341e-02 5.24 -3.789037677e-02 -3.789037677e-02 5.26 -3.426694461e-02 -3.426694461e-02 5.28 -3.102449700e-02 -3.102449700e-02 5.30 -2.812359530e-02 -2.812359530e-02 5.32 -2.552847820e-02 -2.552847820e-02 5.34 -2.320680605e-02 -2.320680605e-02 5.36 -2.112948947e-02 -2.112948947e-02 5.38 -1.927038870e-02 -1.927038870e-02 5.40 -1.760598075e-02 -1.760598075e-02 5.42 -1.611548081e-02 -1.611548081e-02 5.44 -1.478025207e-02 -1.478025207e-02 5.46 -1.358354528e-02 -1.358354528e-02 5.48 -1.251029971e-02 -1.251029971e-02 5.50 -1.154696821e-02 -1.154696821e-02 5.52 -1.068136513e-02 -1.068136513e-02 5.54 -9.902534473e-03 -9.902534473e-03 5.56 -9.200634743e-03 -9.200634743e-03 5.58 -8.566837298e-03 -8.566837298e-03 5.60 -7.993235292e-03 -7.993235292e-03 5.62 -7.472760934e-03 -7.472760934e-03 5.64 -6.999108531e-03 -6.999108531e-03 5.66 -6.566667028e-03 -6.566667028e-03 5.68 -6.170454223e-03 -6.170454223e-03 5.70 -5.806056169e-03 -5.806056169e-03 5.72 -5.469571832e-03 -5.469571832e-03 5.74 -5.157562367e-03 -5.157562367e-03 5.76 -4.867004948e-03 -4.867004948e-03 5.78 -4.595251050e-03 -4.595251050e-03 5.80 -4.339989069e-03 -4.339989069e-03 5.82 -4.099211020e-03 -4.099211020e-03 5.84 -3.871183058e-03 -3.871183058e-03 5.86 -3.654419439e-03 -3.654419439e-03 5.88 -3.447659496e-03 -3.447659496e-03 5.90 -3.249847150e-03 -3.249847150e-03 5.92 -3.060112448e-03 -3.060112448e-03 5.94 -2.877773448e-03 -2.877773448e-03 5.96 -2.702546893e-03 -2.702546893e-03 5.98 -2.534044880e-03 -2.534044880e-03 6.00 -2.371901834e-03 -2.371901834e-03