# 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 = Fe2PdPt # 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 2.765850672e+02 2.765850672e+02 1.30 2.551152865e+02 2.551152865e+02 1.32 2.352410083e+02 2.352410083e+02 1.34 2.168477569e+02 2.168477569e+02 1.36 1.998316044e+02 1.998316044e+02 1.38 1.840920012e+02 1.840920012e+02 1.40 1.695288428e+02 1.695288428e+02 1.42 1.560439036e+02 1.560439036e+02 1.44 1.435442636e+02 1.435442636e+02 1.46 1.319459007e+02 1.319459007e+02 1.48 1.211757627e+02 1.211757627e+02 1.50 1.111709357e+02 1.111709357e+02 1.52 1.018753845e+02 1.018753845e+02 1.54 9.323640819e+01 9.323640819e+01 1.56 8.520264985e+01 8.520264985e+01 1.58 7.772391644e+01 7.772391644e+01 1.60 7.075205002e+01 7.075205002e+01 1.62 6.424222378e+01 6.424222378e+01 1.64 5.815444201e+01 5.815444201e+01 1.66 5.245499308e+01 5.245499308e+01 1.68 4.711726608e+01 4.711726608e+01 1.70 4.218233702e+01 4.218233702e+01 1.72 3.767956274e+01 3.767956274e+01 1.74 3.358194019e+01 3.358194019e+01 1.76 2.986156376e+01 2.986156376e+01 1.78 2.648885293e+01 2.648885293e+01 1.80 2.343339495e+01 2.343339495e+01 1.82 2.066552532e+01 2.066552532e+01 1.84 1.815766108e+01 1.815766108e+01 1.86 1.588489019e+01 1.588489019e+01 1.88 1.382486646e+01 1.382486646e+01 1.90 1.195735787e+01 1.195735787e+01 1.92 1.026381915e+01 1.026381915e+01 1.94 8.727194513e+00 8.727194513e+00 1.96 7.331939553e+00 7.331939553e+00 1.98 6.064115793e+00 6.064115793e+00 2.00 4.911414353e+00 4.911414353e+00 2.02 3.863059474e+00 3.863059474e+00 2.04 2.909630121e+00 2.909630121e+00 2.06 2.042860076e+00 2.042860076e+00 2.08 1.255451032e+00 1.255451032e+00 2.10 5.409060538e-01 5.409060538e-01 2.12 -1.066155815e-01 -1.066155815e-01 2.14 -6.924161966e-01 -6.924161966e-01 2.16 -1.221343992e+00 -1.221343992e+00 2.18 -1.697845774e+00 -1.697845774e+00 2.20 -2.125998494e+00 -2.125998494e+00 2.22 -2.509531517e+00 -2.509531517e+00 2.24 -2.851847535e+00 -2.851847535e+00 2.26 -3.156045437e+00 -3.156045437e+00 2.28 -3.424946420e+00 -3.424946420e+00 2.30 -3.661124224e+00 -3.661124224e+00 2.32 -3.866940147e+00 -3.866940147e+00 2.34 -4.044716443e+00 -4.044716443e+00 2.36 -4.197975521e+00 -4.197975521e+00 2.38 -4.328619610e+00 -4.328619610e+00 2.40 -4.438047241e+00 -4.438047241e+00 2.42 -4.527711637e+00 -4.527711637e+00 2.44 -4.599121938e+00 -4.599121938e+00 2.46 -4.653836089e+00 -4.653836089e+00 2.48 -4.693445541e+00 -4.693445541e+00 2.50 -4.719551374e+00 -4.719551374e+00 2.52 -4.733730522e+00 -4.733730522e+00 2.54 -4.737491901e+00 -4.737491901e+00 2.56 -4.732226444e+00 -4.732226444e+00 2.58 -4.719160357e+00 -4.719160357e+00 2.60 -4.699578221e+00 -4.699578221e+00 2.62 -4.674411462e+00 -4.674411462e+00 2.64 -4.644102725e+00 -4.644102725e+00 2.66 -4.608980290e+00 -4.608980290e+00 2.68 -4.569274493e+00 -4.569274493e+00 2.70 -4.525163272e+00 -4.525163272e+00 2.72 -4.476794851e+00 -4.476794851e+00 2.74 -4.424303595e+00 -4.424303595e+00 2.76 -4.367843794e+00 -4.367843794e+00 2.78 -4.307606094e+00 -4.307606094e+00 2.80 -4.243747803e+00 -4.243747803e+00 2.82 -4.176226601e+00 -4.176226601e+00 2.84 -4.104988550e+00 -4.104988550e+00 2.86 -4.030073345e+00 -4.030073345e+00 2.88 -3.951619378e+00 -3.951619378e+00 2.90 -3.869866087e+00 -3.869866087e+00 2.92 -3.785150680e+00 -3.785150680e+00 2.94 -3.697896372e+00 -3.697896372e+00 2.96 -3.608590577e+00 -3.608590577e+00 2.98 -3.517753749e+00 -3.517753749e+00 3.00 -3.425902367e+00 -3.425902367e+00 3.02 -3.333541759e+00 -3.333541759e+00 3.04 -3.241307301e+00 -3.241307301e+00 3.06 -3.149774354e+00 -3.149774354e+00 3.08 -3.059352668e+00 -3.059352668e+00 3.10 -2.970311033e+00 -2.970311033e+00 3.12 -2.882812831e+00 -2.882812831e+00 3.14 -2.796953941e+00 -2.796953941e+00 3.16 -2.712796472e+00 -2.712796472e+00 3.18 -2.630394573e+00 -2.630394573e+00 3.20 -2.549810921e+00 -2.549810921e+00 3.22 -2.471124329e+00 -2.471124329e+00 3.24 -2.394429931e+00 -2.394429931e+00 3.26 -2.319833864e+00 -2.319833864e+00 3.28 -2.247444528e+00 -2.247444528e+00 3.30 -2.177362453e+00 -2.177362453e+00 3.32 -2.109670580e+00 -2.109670580e+00 3.34 -2.044426360e+00 -2.044426360e+00 3.36 -1.981656617e+00 -1.981656617e+00 3.38 -1.921355530e+00 -1.921355530e+00 3.40 -1.863485596e+00 -1.863485596e+00 3.42 -1.807981013e+00 -1.807981013e+00 3.44 -1.754752721e+00 -1.754752721e+00 3.46 -1.703694280e+00 -1.703694280e+00 3.48 -1.654687840e+00 -1.654687840e+00 3.50 -1.607609662e+00 -1.607609662e+00 3.52 -1.562334826e+00 -1.562334826e+00 3.54 -1.518740964e+00 -1.518740964e+00 3.56 -1.476710985e+00 -1.476710985e+00 3.58 -1.436134894e+00 -1.436134894e+00 3.60 -1.396910810e+00 -1.396910810e+00 3.62 -1.358945376e+00 -1.358945376e+00 3.64 -1.322153680e+00 -1.322153680e+00 3.66 -1.286458853e+00 -1.286458853e+00 3.68 -1.251791446e+00 -1.251791446e+00 3.70 -1.218088679e+00 -1.218088679e+00 3.72 -1.185293642e+00 -1.185293642e+00 3.74 -1.153354485e+00 -1.153354485e+00 3.76 -1.122223643e+00 -1.122223643e+00 3.78 -1.091857114e+00 -1.091857114e+00 3.80 -1.062213823e+00 -1.062213823e+00 3.82 -1.033255059e+00 -1.033255059e+00 3.84 -1.004944023e+00 -1.004944023e+00 3.86 -9.772454787e-01 -9.772454787e-01 3.88 -9.501255237e-01 -9.501255237e-01 3.90 -9.235514933e-01 -9.235514933e-01 3.92 -8.974920049e-01 -8.974920049e-01 3.94 -8.719171627e-01 -8.719171627e-01 3.96 -8.467989136e-01 -8.467989136e-01 3.98 -8.221115791e-01 -8.221115791e-01 4.00 -7.978325363e-01 -7.978325363e-01 4.02 -7.739430279e-01 -7.739430279e-01 4.04 -7.504290530e-01 -7.504290530e-01 4.06 -7.272822628e-01 -7.272822628e-01 4.08 -7.045007589e-01 -7.045007589e-01 4.10 -6.820896632e-01 -6.820896632e-01 4.12 -6.600613446e-01 -6.600613446e-01 4.14 -6.384351071e-01 -6.384351071e-01 4.16 -6.172363246e-01 -6.172363246e-01 4.18 -5.964949182e-01 -5.964949182e-01 4.20 -5.762432522e-01 -5.762432522e-01 4.22 -5.565135928e-01 -5.565135928e-01 4.24 -5.373353601e-01 -5.373353601e-01 4.26 -5.187324843e-01 -5.187324843e-01 4.28 -5.007211322e-01 -5.007211322e-01 4.30 -4.833080513e-01 -4.833080513e-01 4.32 -4.664897640e-01 -4.664897640e-01 4.34 -4.502531429e-01 -4.502531429e-01 4.36 -4.345740518e-01 -4.345740518e-01 4.38 -4.194197577e-01 -4.194197577e-01 4.40 -4.047508147e-01 -4.047508147e-01 4.42 -3.905226221e-01 -3.905226221e-01 4.44 -3.766870497e-01 -3.766870497e-01 4.46 -3.631939875e-01 -3.631939875e-01 4.48 -3.499927428e-01 -3.499927428e-01 4.50 -3.370332727e-01 -3.370332727e-01 4.52 -3.242672643e-01 -3.242672643e-01 4.54 -3.116490584e-01 -3.116490584e-01 4.56 -2.991369157e-01 -2.991369157e-01 4.58 -2.866936895e-01 -2.866936895e-01 4.60 -2.742877465e-01 -2.742877465e-01 4.62 -2.618939543e-01 -2.618939543e-01 4.64 -2.494946698e-01 -2.494946698e-01 4.66 -2.370806923e-01 -2.370806923e-01 4.68 -2.246521207e-01 -2.246521207e-01 4.70 -2.122190273e-01 -2.122190273e-01 4.72 -1.998018512e-01 -1.998018512e-01 4.74 -1.874314060e-01 -1.874314060e-01 4.76 -1.751484107e-01 -1.751484107e-01 4.78 -1.630024795e-01 -1.630024795e-01 4.80 -1.510505467e-01 -1.510505467e-01 4.82 -1.393547633e-01 -1.393547633e-01 4.84 -1.279799524e-01 -1.279799524e-01 4.86 -1.169907851e-01 -1.169907851e-01 4.88 -1.064488688e-01 -1.064488688e-01 4.90 -9.640997222e-02 -9.640997222e-02 4.92 -8.692160607e-02 -8.692160607e-02 4.94 -7.802114415e-02 -7.802114415e-02 4.96 -6.973461264e-02 -6.973461264e-02 4.98 -6.207620170e-02 -6.207620170e-02 5.00 -5.504847756e-02 -5.504847756e-02 5.02 -4.864320639e-02 -4.864320639e-02 5.04 -4.284265327e-02 -4.284265327e-02 5.06 -3.762119508e-02 -3.762119508e-02 5.08 -3.294708504e-02 -3.294708504e-02 5.10 -2.878422565e-02 -2.878422565e-02 5.12 -2.509382429e-02 -2.509382429e-02 5.14 -2.183586963e-02 -2.183586963e-02 5.16 -1.897037067e-02 -1.897037067e-02 5.18 -1.645831809e-02 -1.645831809e-02 5.20 -1.426175946e-02 -1.426175946e-02 5.22 -1.234595796e-02 -1.234595796e-02 5.24 -1.067899345e-02 -1.067899345e-02 5.26 -9.231431372e-03 -9.231431372e-03 5.28 -7.976472432e-03 -7.976472432e-03 5.30 -6.889967626e-03 -6.889967626e-03 5.32 -5.950339749e-03 -5.950339749e-03 5.34 -5.138443828e-03 -5.138443828e-03 5.36 -4.437391098e-03 -4.437391098e-03 5.38 -3.832354655e-03 -3.832354655e-03 5.40 -3.310369762e-03 -3.310369762e-03 5.42 -2.860137654e-03 -2.860137654e-03 5.44 -2.471838633e-03 -2.471838633e-03 5.46 -2.136957931e-03 -2.136957931e-03 5.48 -1.848126164e-03 -1.848126164e-03 5.50 -1.598975043e-03 -1.598975043e-03 5.52 -1.384008189e-03 -1.384008189e-03 5.54 -1.198486442e-03 -1.198486442e-03 5.56 -1.038326681e-03 -1.038326681e-03 5.58 -9.000130610e-04 -9.000130610e-04 5.60 -7.805194746e-04 -7.805194746e-04 5.62 -6.772420747e-04 -6.772420747e-04 5.64 -5.879407179e-04 -5.879407179e-04 5.66 -5.106882781e-04 -5.106882781e-04 5.68 -4.438268600e-04 -4.438268600e-04 5.70 -3.859300339e-04 -3.859300339e-04 5.72 -3.357703071e-04 -3.357703071e-04 5.74 -2.922911358e-04 -2.922911358e-04 5.76 -2.545828624e-04 -2.545828624e-04 5.78 -2.218620414e-04 -2.218620414e-04 5.80 -1.934536855e-04 -1.934536855e-04 5.82 -1.687760229e-04 -1.687760229e-04 5.84 -1.473274153e-04 -1.473274153e-04 5.86 -1.286751289e-04 -1.286751289e-04 5.88 -1.124456981e-04 -1.124456981e-04 5.90 -9.831665430e-05 -9.831665430e-05 5.92 -8.600942560e-05 -8.600942560e-05 5.94 -7.528324031e-05 -7.528324031e-05 5.96 -6.592989129e-05 -6.592989129e-05 5.98 -5.776923806e-05 -5.776923806e-05 6.00 -5.064534150e-05 -5.064534150e-05