# 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 = PbPd2W # 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 4.414504713e+02 4.414504713e+02 1.30 4.106856899e+02 4.106856899e+02 1.32 3.820926812e+02 3.820926812e+02 1.34 3.555134956e+02 3.555134956e+02 1.36 3.308087269e+02 3.308087269e+02 1.38 3.078511603e+02 3.078511603e+02 1.40 2.865203711e+02 2.865203711e+02 1.42 2.666993409e+02 2.666993409e+02 1.44 2.482738044e+02 2.482738044e+02 1.46 2.311338655e+02 2.311338655e+02 1.48 2.151762773e+02 2.151762773e+02 1.50 2.003059329e+02 2.003059329e+02 1.52 1.864362360e+02 1.864362360e+02 1.54 1.734887275e+02 1.734887275e+02 1.56 1.613924458e+02 1.613924458e+02 1.58 1.500831818e+02 1.500831818e+02 1.60 1.395027204e+02 1.395027204e+02 1.62 1.295981415e+02 1.295981415e+02 1.64 1.203212767e+02 1.203212767e+02 1.66 1.116283414e+02 1.116283414e+02 1.68 1.034796637e+02 1.034796637e+02 1.70 9.583938982e+01 9.583938982e+01 1.72 8.867508111e+01 8.867508111e+01 1.74 8.195728527e+01 8.195728527e+01 1.76 7.565962708e+01 7.565962708e+01 1.78 6.975773242e+01 6.975773242e+01 1.80 6.422971784e+01 6.422971784e+01 1.82 5.907161679e+01 5.907161679e+01 1.84 5.428962399e+01 5.428962399e+01 1.86 4.986049500e+01 4.986049500e+01 1.88 4.576010942e+01 4.576010942e+01 1.90 4.196489062e+01 4.196489062e+01 1.92 3.845206510e+01 3.845206510e+01 1.94 3.519999121e+01 3.519999121e+01 1.96 3.218845123e+01 3.218845123e+01 1.98 2.939880422e+01 2.939880422e+01 2.00 2.681398769e+01 2.681398769e+01 2.02 2.441840493e+01 2.441840493e+01 2.04 2.219775010e+01 2.219775010e+01 2.06 2.013882397e+01 2.013882397e+01 2.08 1.822937701e+01 1.822937701e+01 2.10 1.645801031e+01 1.645801031e+01 2.12 1.481412953e+01 1.481412953e+01 2.14 1.328794844e+01 1.328794844e+01 2.16 1.187051021e+01 1.187051021e+01 2.18 1.055370048e+01 1.055370048e+01 2.20 9.330228532e+00 9.330228532e+00 2.22 8.193575473e+00 8.193575473e+00 2.24 7.137911824e+00 7.137911824e+00 2.26 6.157999130e+00 6.157999130e+00 2.28 5.249084303e+00 5.249084303e+00 2.30 4.406807484e+00 4.406807484e+00 2.32 3.627114550e+00 3.627114550e+00 2.34 2.906210098e+00 2.906210098e+00 2.36 2.240549539e+00 2.240549539e+00 2.38 1.626584495e+00 1.626584495e+00 2.40 1.060903073e+00 1.060903073e+00 2.42 5.402488838e-01 5.402488838e-01 2.44 6.151796836e-02 6.151796836e-02 2.46 -3.782392389e-01 -3.782392389e-01 2.48 -7.818136930e-01 -7.818136930e-01 2.50 -1.151782016e+00 -1.151782016e+00 2.52 -1.490317308e+00 -1.490317308e+00 2.54 -1.799405969e+00 -1.799405969e+00 2.56 -2.080923644e+00 -2.080923644e+00 2.58 -2.336620598e+00 -2.336620598e+00 2.60 -2.568117609e+00 -2.568117609e+00 2.62 -2.776911566e+00 -2.776911566e+00 2.64 -2.964389958e+00 -2.964389958e+00 2.66 -3.131844175e+00 -3.131844175e+00 2.68 -3.280486197e+00 -3.280486197e+00 2.70 -3.411459993e+00 -3.411459993e+00 2.72 -3.525849585e+00 -3.525849585e+00 2.74 -3.624683641e+00 -3.624683641e+00 2.76 -3.708937605e+00 -3.708937605e+00 2.78 -3.779534544e+00 -3.779534544e+00 2.80 -3.837346649e+00 -3.837346649e+00 2.82 -3.883197392e+00 -3.883197392e+00 2.84 -3.918337837e+00 -3.918337837e+00 2.86 -3.943672374e+00 -3.943672374e+00 2.88 -3.959595381e+00 -3.959595381e+00 2.90 -3.966526046e+00 -3.966526046e+00 2.92 -3.964906172e+00 -3.964906172e+00 2.94 -3.955196528e+00 -3.955196528e+00 2.96 -3.937871292e+00 -3.937871292e+00 2.98 -3.913411182e+00 -3.913411182e+00 3.00 -3.882311214e+00 -3.882311214e+00 3.02 -3.845132028e+00 -3.845132028e+00 3.04 -3.802429390e+00 -3.802429390e+00 3.06 -3.754727620e+00 -3.754727620e+00 3.08 -3.702514281e+00 -3.702514281e+00 3.10 -3.646246650e+00 -3.646246650e+00 3.12 -3.586406797e+00 -3.586406797e+00 3.14 -3.523328765e+00 -3.523328765e+00 3.16 -3.457286173e+00 -3.457286173e+00 3.18 -3.388559532e+00 -3.388559532e+00 3.20 -3.317424932e+00 -3.317424932e+00 3.22 -3.244146632e+00 -3.244146632e+00 3.24 -3.168962603e+00 -3.168962603e+00 3.26 -3.092086330e+00 -3.092086330e+00 3.28 -3.013728360e+00 -3.013728360e+00 3.30 -2.934100200e+00 -2.934100200e+00 3.32 -2.853419103e+00 -2.853419103e+00 3.34 -2.771913774e+00 -2.771913774e+00 3.36 -2.689829629e+00 -2.689829629e+00 3.38 -2.607432400e+00 -2.607432400e+00 3.40 -2.525009017e+00 -2.525009017e+00 3.42 -2.442866350e+00 -2.442866350e+00 3.44 -2.361324860e+00 -2.361324860e+00 3.46 -2.280711461e+00 -2.280711461e+00 3.48 -2.201349237e+00 -2.201349237e+00 3.50 -2.123546315e+00 -2.123546315e+00 3.52 -2.047584832e+00 -2.047584832e+00 3.54 -1.973711153e+00 -1.973711153e+00 3.56 -1.902128304e+00 -1.902128304e+00 3.58 -1.832991252e+00 -1.832991252e+00 3.60 -1.766405299e+00 -1.766405299e+00 3.62 -1.702427424e+00 -1.702427424e+00 3.64 -1.641070138e+00 -1.641070138e+00 3.66 -1.582307136e+00 -1.582307136e+00 3.68 -1.526080003e+00 -1.526080003e+00 3.70 -1.472305227e+00 -1.472305227e+00 3.72 -1.420880887e+00 -1.420880887e+00 3.74 -1.371692615e+00 -1.371692615e+00 3.76 -1.324618574e+00 -1.324618574e+00 3.78 -1.279533427e+00 -1.279533427e+00 3.80 -1.236311393e+00 -1.236311393e+00 3.82 -1.194828565e+00 -1.194828565e+00 3.84 -1.154964697e+00 -1.154964697e+00 3.86 -1.116604624e+00 -1.116604624e+00 3.88 -1.079639446e+00 -1.079639446e+00 3.90 -1.043967537e+00 -1.043967537e+00 3.92 -1.009494934e+00 -1.009494934e+00 3.94 -9.761381433e-01 -9.761381433e-01 3.96 -9.438215261e-01 -9.438215261e-01 3.98 -9.124800670e-01 -9.124800670e-01 4.00 -8.820590895e-01 -8.820590895e-01 4.02 -8.525143652e-01 -8.525143652e-01 4.04 -8.238119455e-01 -8.238119455e-01 4.06 -7.959276372e-01 -7.959276372e-01 4.08 -7.688460516e-01 -7.688460516e-01 4.10 -7.425581968e-01 -7.425581968e-01 4.12 -7.170637404e-01 -7.170637404e-01 4.14 -6.923622715e-01 -6.923622715e-01 4.16 -6.684554436e-01 -6.684554436e-01 4.18 -6.453433660e-01 -6.453433660e-01 4.20 -6.230224761e-01 -6.230224761e-01 4.22 -6.014838952e-01 -6.014838952e-01 4.24 -5.807124085e-01 -5.807124085e-01 4.26 -5.606861165e-01 -5.606861165e-01 4.28 -5.413767077e-01 -5.413767077e-01 4.30 -5.227502266e-01 -5.227502266e-01 4.32 -5.047681727e-01 -5.047681727e-01 4.34 -4.873887581e-01 -4.873887581e-01 4.36 -4.705681783e-01 -4.705681783e-01 4.38 -4.542617885e-01 -4.542617885e-01 4.40 -4.384251265e-01 -4.384251265e-01 4.42 -4.230147620e-01 -4.230147620e-01 4.44 -4.079889855e-01 -4.079889855e-01 4.46 -3.933083714e-01 -3.933083714e-01 4.48 -3.789362585e-01 -3.789362585e-01 4.50 -3.648391932e-01 -3.648391932e-01 4.52 -3.509873745e-01 -3.509873745e-01 4.54 -3.373551294e-01 -3.373551294e-01 4.56 -3.239214307e-01 -3.239214307e-01 4.58 -3.106704521e-01 -3.106704521e-01 4.60 -2.975921344e-01 -2.975921344e-01 4.62 -2.846827160e-01 -2.846827160e-01 4.64 -2.719451619e-01 -2.719451619e-01 4.66 -2.593894105e-01 -2.593894105e-01 4.68 -2.470323538e-01 -2.470323538e-01 4.70 -2.348974704e-01 -2.348974704e-01 4.72 -2.230140566e-01 -2.230140566e-01 4.74 -2.114160325e-01 -2.114160325e-01 4.76 -2.001403546e-01 -2.001403546e-01 4.78 -1.892251184e-01 -1.892251184e-01 4.80 -1.787067101e-01 -1.787067101e-01 4.82 -1.686209480e-01 -1.686209480e-01 4.84 -1.589961516e-01 -1.589961516e-01 4.86 -1.498550941e-01 -1.498550941e-01 4.88 -1.412130045e-01 -1.412130045e-01 4.90 -1.330770261e-01 -1.330770261e-01 4.92 -1.254462314e-01 -1.254462314e-01 4.94 -1.183121265e-01 -1.183121265e-01 4.96 -1.116595412e-01 -1.116595412e-01 4.98 -1.054677835e-01 -1.054677835e-01 5.00 -9.971193727e-02 -9.971193727e-02 5.02 -9.436418216e-02 -9.436418216e-02 5.04 -8.939458929e-02 -8.939458929e-02 5.06 -8.477298018e-02 -8.477298018e-02 5.08 -8.047024604e-02 -8.047024604e-02 5.10 -7.645816675e-02 -7.645816675e-02 5.12 -7.271006724e-02 -7.271006724e-02 5.14 -6.920127037e-02 -6.920127037e-02 5.16 -6.590937029e-02 -6.590937029e-02 5.18 -6.281435594e-02 -6.281435594e-02 5.20 -5.989861421e-02 -5.989861421e-02 5.22 -5.714683737e-02 -5.714683737e-02 5.24 -5.454585764e-02 -5.454585764e-02 5.26 -5.208442896e-02 -5.208442896e-02 5.28 -4.975297414e-02 -4.975297414e-02 5.30 -4.754326965e-02 -4.754326965e-02 5.32 -4.544817463e-02 -4.544817463e-02 5.34 -4.346155967e-02 -4.346155967e-02 5.36 -4.157791088e-02 -4.157791088e-02 5.38 -3.979211816e-02 -3.979211816e-02 5.40 -3.809931247e-02 -3.809931247e-02 5.42 -3.649474385e-02 -3.649474385e-02 5.44 -3.497369972e-02 -3.497369972e-02 5.46 -3.353145984e-02 -3.353145984e-02 5.48 -3.216328224e-02 -3.216328224e-02 5.50 -3.086441287e-02 -3.086441287e-02 5.52 -2.963011183e-02 -2.963011183e-02 5.54 -2.845568914e-02 -2.845568914e-02 5.56 -2.733654422e-02 -2.733654422e-02 5.58 -2.626820470e-02 -2.626820470e-02 5.60 -2.524636119e-02 -2.524636119e-02 5.62 -2.426689654e-02 -2.426689654e-02 5.64 -2.332590951e-02 -2.332590951e-02 5.66 -2.241973096e-02 -2.241973096e-02 5.68 -2.154493515e-02 -2.154493515e-02 5.70 -2.069834673e-02 -2.069834673e-02 5.72 -1.987704457e-02 -1.987704457e-02 5.74 -1.907836376e-02 -1.907836376e-02 5.76 -1.829989658e-02 -1.829989658e-02 5.78 -1.753949360e-02 -1.753949360e-02 5.80 -1.679526535e-02 -1.679526535e-02 5.82 -1.606558487e-02 -1.606558487e-02 5.84 -1.534909127e-02 -1.534909127e-02 5.86 -1.464469392e-02 -1.464469392e-02 5.88 -1.395157667e-02 -1.395157667e-02 5.90 -1.326920129e-02 -1.326920129e-02 5.92 -1.259730901e-02 -1.259730901e-02 5.94 -1.193591157e-02 -1.193591157e-02 5.96 -1.128525871e-02 -1.128525871e-02 5.98 -1.064590381e-02 -1.064590381e-02 6.00 -1.001864894e-02 -1.001864894e-02