# 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 = Fe2TiW # 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 2.723864967e+02 2.723864967e+02 1.30 2.495915742e+02 2.495915742e+02 1.32 2.286613991e+02 2.286613991e+02 1.34 2.094297589e+02 2.094297589e+02 1.36 1.917463067e+02 1.917463067e+02 1.38 1.754757345e+02 1.754757345e+02 1.40 1.604969082e+02 1.604969082e+02 1.42 1.467021801e+02 1.467021801e+02 1.44 1.339967397e+02 1.339967397e+02 1.46 1.222974070e+02 1.222974070e+02 1.48 1.115305078e+02 1.115305078e+02 1.50 1.016292718e+02 1.016292718e+02 1.52 9.253156825e+01 9.253156825e+01 1.54 8.417851095e+01 8.417851095e+01 1.56 7.651398308e+01 7.651398308e+01 1.58 6.948472767e+01 6.948472767e+01 1.60 6.304055463e+01 6.304055463e+01 1.62 5.713443754e+01 5.713443754e+01 1.64 5.172246781e+01 5.172246781e+01 1.66 4.676367934e+01 4.676367934e+01 1.68 4.221981143e+01 4.221981143e+01 1.70 3.805514775e+01 3.805514775e+01 1.72 3.423651935e+01 3.423651935e+01 1.74 3.073340759e+01 3.073340759e+01 1.76 2.751835636e+01 2.751835636e+01 1.78 2.456668334e+01 2.456668334e+01 1.80 2.185578483e+01 2.185578483e+01 1.82 1.936517133e+01 1.936517133e+01 1.84 1.707642436e+01 1.707642436e+01 1.86 1.497349913e+01 1.497349913e+01 1.88 1.304232550e+01 1.304232550e+01 1.90 1.127047127e+01 1.127047127e+01 1.92 9.646740660e+00 9.646740660e+00 1.94 8.160788587e+00 8.160788587e+00 1.96 6.802833134e+00 6.802833134e+00 1.98 5.563495253e+00 5.563495253e+00 2.00 4.433737680e+00 4.433737680e+00 2.02 3.404859548e+00 3.404859548e+00 2.04 2.468521805e+00 2.468521805e+00 2.06 1.616794883e+00 1.616794883e+00 2.08 8.422191670e-01 8.422191670e-01 2.10 1.378625052e-01 1.378625052e-01 2.12 -5.026404111e-01 -5.026404111e-01 2.14 -1.085072221e+00 -1.085072221e+00 2.16 -1.614637120e+00 -1.614637120e+00 2.18 -2.095981946e+00 -2.095981946e+00 2.20 -2.533234582e+00 -2.533234582e+00 2.22 -2.930060292e+00 -2.930060292e+00 2.24 -3.289729297e+00 -3.289729297e+00 2.26 -3.615182970e+00 -3.615182970e+00 2.28 -3.909086980e+00 -3.909086980e+00 2.30 -4.173839471e+00 -4.173839471e+00 2.32 -4.411561165e+00 -4.411561165e+00 2.34 -4.624383427e+00 -4.624383427e+00 2.36 -4.814242777e+00 -4.814242777e+00 2.38 -4.982879564e+00 -4.982879564e+00 2.40 -5.131871194e+00 -5.131871194e+00 2.42 -5.262663562e+00 -5.262663562e+00 2.44 -5.376575466e+00 -5.376575466e+00 2.46 -5.474590326e+00 -5.474590326e+00 2.48 -5.557529451e+00 -5.557529451e+00 2.50 -5.626245902e+00 -5.626245902e+00 2.52 -5.681607088e+00 -5.681607088e+00 2.54 -5.724475586e+00 -5.724475586e+00 2.56 -5.755691923e+00 -5.755691923e+00 2.58 -5.776071539e+00 -5.776071539e+00 2.60 -5.786430645e+00 -5.786430645e+00 2.62 -5.787406071e+00 -5.787406071e+00 2.64 -5.779573782e+00 -5.779573782e+00 2.66 -5.763472572e+00 -5.763472572e+00 2.68 -5.739603186e+00 -5.739603186e+00 2.70 -5.708429336e+00 -5.708429336e+00 2.72 -5.670363226e+00 -5.670363226e+00 2.74 -5.625629128e+00 -5.625629128e+00 2.76 -5.574364581e+00 -5.574364581e+00 2.78 -5.516719518e+00 -5.516719518e+00 2.80 -5.452856681e+00 -5.452856681e+00 2.82 -5.382953734e+00 -5.382953734e+00 2.84 -5.307215575e+00 -5.307215575e+00 2.86 -5.225860179e+00 -5.225860179e+00 2.88 -5.139136084e+00 -5.139136084e+00 2.90 -5.047337126e+00 -5.047337126e+00 2.92 -4.950806849e+00 -4.950806849e+00 2.94 -4.849940218e+00 -4.849940218e+00 2.96 -4.745182158e+00 -4.745182158e+00 2.98 -4.637009908e+00 -4.637009908e+00 3.00 -4.525742981e+00 -4.525742981e+00 3.02 -4.411621553e+00 -4.411621553e+00 3.04 -4.294962105e+00 -4.294962105e+00 3.06 -4.176128906e+00 -4.176128906e+00 3.08 -4.055501834e+00 -4.055501834e+00 3.10 -3.933450830e+00 -3.933450830e+00 3.12 -3.810318691e+00 -3.810318691e+00 3.14 -3.686414188e+00 -3.686414188e+00 3.16 -3.562014208e+00 -3.562014208e+00 3.18 -3.437373111e+00 -3.437373111e+00 3.20 -3.312735355e+00 -3.312735355e+00 3.22 -3.188348187e+00 -3.188348187e+00 3.24 -3.064471550e+00 -3.064471550e+00 3.26 -2.941383501e+00 -2.941383501e+00 3.28 -2.819380605e+00 -2.819380605e+00 3.30 -2.698773884e+00 -2.698773884e+00 3.32 -2.579881742e+00 -2.579881742e+00 3.34 -2.463021731e+00 -2.463021731e+00 3.36 -2.348502960e+00 -2.348502960e+00 3.38 -2.236620460e+00 -2.236620460e+00 3.40 -2.127652051e+00 -2.127652051e+00 3.42 -2.021857528e+00 -2.021857528e+00 3.44 -1.919478955e+00 -1.919478955e+00 3.46 -1.820741231e+00 -1.820741231e+00 3.48 -1.725851421e+00 -1.725851421e+00 3.50 -1.634996191e+00 -1.634996191e+00 3.52 -1.548337079e+00 -1.548337079e+00 3.54 -1.466003986e+00 -1.466003986e+00 3.56 -1.388087789e+00 -1.388087789e+00 3.58 -1.314633360e+00 -1.314633360e+00 3.60 -1.245634380e+00 -1.245634380e+00 3.62 -1.181031098e+00 -1.181031098e+00 3.64 -1.120711722e+00 -1.120711722e+00 3.66 -1.064517390e+00 -1.064517390e+00 3.68 -1.012250077e+00 -1.012250077e+00 3.70 -9.636823085e-01 -9.636823085e-01 3.72 -9.185674585e-01 -9.185674585e-01 3.74 -8.766495478e-01 -8.766495478e-01 3.76 -8.376717852e-01 -8.376717852e-01 3.78 -8.013834256e-01 -8.013834256e-01 3.80 -7.675445702e-01 -7.675445702e-01 3.82 -7.359306216e-01 -7.359306216e-01 3.84 -7.063337138e-01 -7.063337138e-01 3.86 -6.785635025e-01 -6.785635025e-01 3.88 -6.524473601e-01 -6.524473601e-01 3.90 -6.278299099e-01 -6.278299099e-01 3.92 -6.045720935e-01 -6.045720935e-01 3.94 -5.825501438e-01 -5.825501438e-01 3.96 -5.616540805e-01 -5.616540805e-01 3.98 -5.417865230e-01 -5.417865230e-01 4.00 -5.228613363e-01 -5.228613363e-01 4.02 -5.048023768e-01 -5.048023768e-01 4.04 -4.875423243e-01 -4.875423243e-01 4.06 -4.710216123e-01 -4.710216123e-01 4.08 -4.551874622e-01 -4.551874622e-01 4.10 -4.399929415e-01 -4.399929415e-01 4.12 -4.253965252e-01 -4.253965252e-01 4.14 -4.113609058e-01 -4.113609058e-01 4.16 -3.978527666e-01 -3.978527666e-01 4.18 -3.848421700e-01 -3.848421700e-01 4.20 -3.723021107e-01 -3.723021107e-01 4.22 -3.602081275e-01 -3.602081275e-01 4.24 -3.485379685e-01 -3.485379685e-01 4.26 -3.372713007e-01 -3.372713007e-01 4.28 -3.263894602e-01 -3.263894602e-01 4.30 -3.158752362e-01 -3.158752362e-01 4.32 -3.057126842e-01 -3.057126842e-01 4.34 -2.958869649e-01 -2.958869649e-01 4.36 -2.863842044e-01 -2.863842044e-01 4.38 -2.771913725e-01 -2.771913725e-01 4.40 -2.682961777e-01 -2.682961777e-01 4.42 -2.596869746e-01 -2.596869746e-01 4.44 -2.513526827e-01 -2.513526827e-01 4.46 -2.432827156e-01 -2.432827156e-01 4.48 -2.354669180e-01 -2.354669180e-01 4.50 -2.278955095e-01 -2.278955095e-01 4.52 -2.205590355e-01 -2.205590355e-01 4.54 -2.134483232e-01 -2.134483232e-01 4.56 -2.065544432e-01 -2.065544432e-01 4.58 -1.998686763e-01 -1.998686763e-01 4.60 -1.933824855e-01 -1.933824855e-01 4.62 -1.870874945e-01 -1.870874945e-01 4.64 -1.809754726e-01 -1.809754726e-01 4.66 -1.750383276e-01 -1.750383276e-01 4.68 -1.692681089e-01 -1.692681089e-01 4.70 -1.636570211e-01 -1.636570211e-01 4.72 -1.581974525e-01 -1.581974525e-01 4.74 -1.528820184e-01 -1.528820184e-01 4.76 -1.477036236e-01 -1.477036236e-01 4.78 -1.426555442e-01 -1.426555442e-01 4.80 -1.377314874e-01 -1.377314874e-01 4.82 -1.329258886e-01 -1.329258886e-01 4.84 -1.282337739e-01 -1.282337739e-01 4.86 -1.236510977e-01 -1.236510977e-01 4.88 -1.191748355e-01 -1.191748355e-01 4.90 -1.148031105e-01 -1.148031105e-01 4.92 -1.105352837e-01 -1.105352837e-01 4.94 -1.063719886e-01 -1.063719886e-01 4.96 -1.023150898e-01 -1.023150898e-01 4.98 -9.836755166e-02 -9.836755166e-02 5.00 -9.453321125e-02 -9.453321125e-02 5.02 -9.081646079e-02 -9.081646079e-02 5.04 -8.722186097e-02 -8.722186097e-02 5.06 -8.375371753e-02 -8.375371753e-02 5.08 -8.041561197e-02 -8.041561197e-02 5.10 -7.721001455e-02 -7.721001455e-02 5.12 -7.413827282e-02 -7.413827282e-02 5.14 -7.120022147e-02 -7.120022147e-02 5.16 -6.839411581e-02 -6.839411581e-02 5.18 -6.571669746e-02 -6.571669746e-02 5.20 -6.316335381e-02 -6.316335381e-02 5.22 -6.072834232e-02 -6.072834232e-02 5.24 -5.840504837e-02 -5.840504837e-02 5.26 -5.618624847e-02 -5.618624847e-02 5.28 -5.406435647e-02 -5.406435647e-02 5.30 -5.203163808e-02 -5.203163808e-02 5.32 -5.008038620e-02 -5.008038620e-02 5.34 -4.820305556e-02 -4.820305556e-02 5.36 -4.639235985e-02 -4.639235985e-02 5.38 -4.464133688e-02 -4.464133688e-02 5.40 -4.294338931e-02 -4.294338931e-02 5.42 -4.129230809e-02 -4.129230809e-02 5.44 -3.968228605e-02 -3.968228605e-02 5.46 -3.810792776e-02 -3.810792776e-02 5.48 -3.656426109e-02 -3.656426109e-02 5.50 -3.504675472e-02 -3.504675472e-02 5.52 -3.355134453e-02 -3.355134453e-02 5.54 -3.207447105e-02 -3.207447105e-02 5.56 -3.061312716e-02 -3.061312716e-02 5.58 -2.916491671e-02 -2.916491671e-02 5.60 -2.772812077e-02 -2.772812077e-02 5.62 -2.630176668e-02 -2.630176668e-02 5.64 -2.488569411e-02 -2.488569411e-02 5.66 -2.348061010e-02 -2.348061010e-02 5.68 -2.208812412e-02 -2.208812412e-02 5.70 -2.071075374e-02 -2.071075374e-02 5.72 -1.935189185e-02 -1.935189185e-02 5.74 -1.801572860e-02 -1.801572860e-02 5.76 -1.670711990e-02 -1.670711990e-02 5.78 -1.543117379e-02 -1.543117379e-02 5.80 -1.419347684e-02 -1.419347684e-02 5.82 -1.299981781e-02 -1.299981781e-02 5.84 -1.185574604e-02 -1.185574604e-02 5.86 -1.076631741e-02 -1.076631741e-02 5.88 -9.735867598e-03 -9.735867598e-03 5.90 -8.767830190e-03 -8.767830190e-03 5.92 -7.864612340e-03 -7.864612340e-03 5.94 -7.027534363e-03 -7.027534363e-03 5.96 -6.256832881e-03 -6.256832881e-03 5.98 -5.551721090e-03 -5.551721090e-03 6.00 -4.910495109e-03 -4.910495109e-03