# 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 = Cu2TaW # 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 2.345145080e+02 2.345145080e+02 1.30 2.159818543e+02 2.159818543e+02 1.32 1.989000111e+02 1.989000111e+02 1.34 1.831507831e+02 1.831507831e+02 1.36 1.686247269e+02 1.686247269e+02 1.38 1.552197866e+02 1.552197866e+02 1.40 1.428415745e+02 1.428415745e+02 1.42 1.314043960e+02 1.314043960e+02 1.44 1.208312275e+02 1.208312275e+02 1.46 1.110521872e+02 1.110521872e+02 1.48 1.020025809e+02 1.020025809e+02 1.50 9.362185505e+01 9.362185505e+01 1.52 8.585387470e+01 8.585387470e+01 1.54 7.864785126e+01 7.864785126e+01 1.56 7.195897073e+01 7.195897073e+01 1.58 6.574834264e+01 6.574834264e+01 1.60 5.998245678e+01 5.998245678e+01 1.62 5.463239100e+01 5.463239100e+01 1.64 4.967284863e+01 4.967284863e+01 1.66 4.508109640e+01 4.508109640e+01 1.68 4.083595025e+01 4.083595025e+01 1.70 3.691693127e+01 3.691693127e+01 1.72 3.330364940e+01 3.330364940e+01 1.74 2.997546214e+01 2.997546214e+01 1.76 2.691145329e+01 2.691145329e+01 1.78 2.409352371e+01 2.409352371e+01 1.80 2.150480564e+01 2.150480564e+01 1.82 1.912530371e+01 1.912530371e+01 1.84 1.693665156e+01 1.693665156e+01 1.86 1.492249099e+01 1.492249099e+01 1.88 1.306841468e+01 1.306841468e+01 1.90 1.136185545e+01 1.136185545e+01 1.92 9.791737548e+00 9.791737548e+00 1.94 8.348007703e+00 8.348007703e+00 1.96 7.021339314e+00 7.021339314e+00 1.98 5.802966390e+00 5.802966390e+00 2.00 4.684627225e+00 4.684627225e+00 2.02 3.658575274e+00 3.658575274e+00 2.04 2.717612467e+00 2.717612467e+00 2.06 1.855108183e+00 1.855108183e+00 2.08 1.064984790e+00 1.064984790e+00 2.10 3.416742147e-01 3.416742147e-01 2.12 -3.199334823e-01 -3.199334823e-01 2.14 -9.245291550e-01 -9.245291550e-01 2.16 -1.476405375e+00 -1.476405375e+00 2.18 -1.979468644e+00 -1.979468644e+00 2.20 -2.437258655e+00 -2.437258655e+00 2.22 -2.852985728e+00 -2.852985728e+00 2.24 -3.229588756e+00 -3.229588756e+00 2.26 -3.569808760e+00 -3.569808760e+00 2.28 -3.876267542e+00 -3.876267542e+00 2.30 -4.151535074e+00 -4.151535074e+00 2.32 -4.398165544e+00 -4.398165544e+00 2.34 -4.618687293e+00 -4.618687293e+00 2.36 -4.815495440e+00 -4.815495440e+00 2.38 -4.990852335e+00 -4.990852335e+00 2.40 -5.146919948e+00 -5.146919948e+00 2.42 -5.285489614e+00 -5.285489614e+00 2.44 -5.408095454e+00 -5.408095454e+00 2.46 -5.516237184e+00 -5.516237184e+00 2.48 -5.611139090e+00 -5.611139090e+00 2.50 -5.693802216e+00 -5.693802216e+00 2.52 -5.764998672e+00 -5.764998672e+00 2.54 -5.825188243e+00 -5.825188243e+00 2.56 -5.874619854e+00 -5.874619854e+00 2.58 -5.913358964e+00 -5.913358964e+00 2.60 -5.941549764e+00 -5.941549764e+00 2.62 -5.959418201e+00 -5.959418201e+00 2.64 -5.967256493e+00 -5.967256493e+00 2.66 -5.965413498e+00 -5.965413498e+00 2.68 -5.954286810e+00 -5.954286810e+00 2.70 -5.934312920e+00 -5.934312920e+00 2.72 -5.905953141e+00 -5.905953141e+00 2.74 -5.869675469e+00 -5.869675469e+00 2.76 -5.825935243e+00 -5.825935243e+00 2.78 -5.775159258e+00 -5.775159258e+00 2.80 -5.717737784e+00 -5.717737784e+00 2.82 -5.654026851e+00 -5.654026851e+00 2.84 -5.584360253e+00 -5.584360253e+00 2.86 -5.509068263e+00 -5.509068263e+00 2.88 -5.428498960e+00 -5.428498960e+00 2.90 -5.343038005e+00 -5.343038005e+00 2.92 -5.253281875e+00 -5.253281875e+00 2.94 -5.159966702e+00 -5.159966702e+00 2.96 -5.063308833e+00 -5.063308833e+00 2.98 -4.963606817e+00 -4.963606817e+00 3.00 -4.861243026e+00 -4.861243026e+00 3.02 -4.756647901e+00 -4.756647901e+00 3.04 -4.650262707e+00 -4.650262707e+00 3.06 -4.542504320e+00 -4.542504320e+00 3.08 -4.433735530e+00 -4.433735530e+00 3.10 -4.324260254e+00 -4.324260254e+00 3.12 -4.214334311e+00 -4.214334311e+00 3.14 -4.104126742e+00 -4.104126742e+00 3.16 -3.993722983e+00 -3.993722983e+00 3.18 -3.883142890e+00 -3.883142890e+00 3.20 -3.772363344e+00 -3.772363344e+00 3.22 -3.661342703e+00 -3.661342703e+00 3.24 -3.550044513e+00 -3.550044513e+00 3.26 -3.438458303e+00 -3.438458303e+00 3.28 -3.326615787e+00 -3.326615787e+00 3.30 -3.214601395e+00 -3.214601395e+00 3.32 -3.102556697e+00 -3.102556697e+00 3.34 -2.990678921e+00 -2.990678921e+00 3.36 -2.879214339e+00 -2.879214339e+00 3.38 -2.768447707e+00 -2.768447707e+00 3.40 -2.658689138e+00 -2.658689138e+00 3.42 -2.550259770e+00 -2.550259770e+00 3.44 -2.443477379e+00 -2.443477379e+00 3.46 -2.338642873e+00 -2.338642873e+00 3.48 -2.236028325e+00 -2.236028325e+00 3.50 -2.135867075e+00 -2.135867075e+00 3.52 -2.038346322e+00 -2.038346322e+00 3.54 -1.943602572e+00 -1.943602572e+00 3.56 -1.851720191e+00 -1.851720191e+00 3.58 -1.762733200e+00 -1.762733200e+00 3.60 -1.676630178e+00 -1.676630178e+00 3.62 -1.593361948e+00 -1.593361948e+00 3.64 -1.512851444e+00 -1.512851444e+00 3.66 -1.435004989e+00 -1.435004989e+00 3.68 -1.359724103e+00 -1.359724103e+00 3.70 -1.286916888e+00 -1.286916888e+00 3.72 -1.216508107e+00 -1.216508107e+00 3.74 -1.148447116e+00 -1.148447116e+00 3.76 -1.082712968e+00 -1.082712968e+00 3.78 -1.019316207e+00 -1.019316207e+00 3.80 -9.582971295e-01 -9.582971295e-01 3.82 -8.997206105e-01 -8.997206105e-01 3.84 -8.436679898e-01 -8.436679898e-01 3.86 -7.902268503e-01 -7.902268503e-01 3.88 -7.394798403e-01 -7.394798403e-01 3.90 -6.914938195e-01 -6.914938195e-01 3.92 -6.463105544e-01 -6.463105544e-01 3.94 -6.039399266e-01 -6.039399266e-01 3.96 -5.643561990e-01 -5.643561990e-01 3.98 -5.274974207e-01 -5.274974207e-01 4.00 -4.932676276e-01 -4.932676276e-01 4.02 -4.615412028e-01 -4.615412028e-01 4.04 -4.321686273e-01 -4.321686273e-01 4.06 -4.049828618e-01 -4.049828618e-01 4.08 -3.798057267e-01 -3.798057267e-01 4.10 -3.564538168e-01 -3.564538168e-01 4.12 -3.347436774e-01 -3.347436774e-01 4.14 -3.144961271e-01 -3.144961271e-01 4.16 -2.955397422e-01 -2.955397422e-01 4.18 -2.777135947e-01 -2.777135947e-01 4.20 -2.608693797e-01 -2.608693797e-01 4.22 -2.448730759e-01 -2.448730759e-01 4.24 -2.296062638e-01 -2.296062638e-01 4.26 -2.149671910e-01 -2.149671910e-01 4.28 -2.008716223e-01 -2.008716223e-01 4.30 -1.872534542e-01 -1.872534542e-01 4.32 -1.740650253e-01 -1.740650253e-01 4.34 -1.612770063e-01 -1.612770063e-01 4.36 -1.488776954e-01 -1.488776954e-01 4.38 -1.368713805e-01 -1.368713805e-01 4.40 -1.252770601e-01 -1.252770601e-01 4.42 -1.141250011e-01 -1.141250011e-01 4.44 -1.034530419e-01 -1.034530419e-01 4.46 -9.330263751e-02 -9.330263751e-02 4.48 -8.371475638e-02 -8.371475638e-02 4.50 -7.472600586e-02 -7.472600586e-02 4.52 -6.636534681e-02 -6.636534681e-02 4.54 -5.865168112e-02 -5.865168112e-02 4.56 -5.159247544e-02 -5.159247544e-02 4.58 -4.518343617e-02 -4.518343617e-02 4.60 -3.940913176e-02 -3.940913176e-02 4.62 -3.424436317e-02 -3.424436317e-02 4.64 -2.965601977e-02 -2.965601977e-02 4.66 -2.560515558e-02 -2.560515558e-02 4.68 -2.204906733e-02 -2.204906733e-02 4.70 -1.894321480e-02 -1.894321480e-02 4.72 -1.624245610e-02 -1.624245610e-02 4.74 -1.390323449e-02 -1.390323449e-02 4.76 -1.188441578e-02 -1.188441578e-02 4.78 -1.014744539e-02 -1.014744539e-02 4.80 -8.656836538e-03 -8.656836538e-03 4.82 -7.380406917e-03 -7.380406917e-03 4.84 -6.289324236e-03 -6.289324236e-03 4.86 -5.358017425e-03 -5.358017425e-03 4.88 -4.563997130e-03 -4.563997130e-03 4.90 -3.887621901e-03 -3.887621901e-03 4.92 -3.311836909e-03 -3.311836909e-03 4.94 -2.821904629e-03 -2.821904629e-03 4.96 -2.405140837e-03 -2.405140837e-03 4.98 -2.050664541e-03 -2.050664541e-03 5.00 -1.749166897e-03 -1.749166897e-03 5.02 -1.492701618e-03 -1.492701618e-03 5.04 -1.274497584e-03 -1.274497584e-03 5.06 -1.088793196e-03 -1.088793196e-03 5.08 -9.306912471e-04 -9.306912471e-04 5.10 -7.960327092e-04 -7.960327092e-04 5.12 -6.812875911e-04 -6.812875911e-04 5.14 -5.834610222e-04 -5.834610222e-04 5.16 -5.000127411e-04 -5.000127411e-04 5.18 -4.287882968e-04 -4.287882968e-04 5.20 -3.679604039e-04 -3.679604039e-04 5.22 -3.159790574e-04 -3.159790574e-04 5.24 -2.715291666e-04 -2.715291666e-04 5.26 -2.334946197e-04 -2.334946197e-04 5.28 -2.009278344e-04 -2.009278344e-04 5.30 -1.730239737e-04 -1.730239737e-04 5.32 -1.490991242e-04 -1.490991242e-04 5.34 -1.285718345e-04 -1.285718345e-04 5.36 -1.109474977e-04 -1.109474977e-04 5.38 -9.580514242e-05 -9.580514242e-05 5.40 -8.278625788e-05 -8.278625788e-05 5.42 -7.158534047e-05 -7.158534047e-05 5.44 -6.194189322e-05 -6.194189322e-05 5.46 -5.363365345e-05 -5.363365345e-05 5.48 -4.647085767e-05 -4.647085767e-05 5.50 -4.029138292e-05 -4.029138292e-05 5.52 -3.495662872e-05 -3.495662872e-05 5.54 -3.034802486e-05 -3.034802486e-05 5.56 -2.636406854e-05 -2.636406854e-05 5.58 -2.291780900e-05 -2.291780900e-05 5.60 -1.993471096e-05 -1.993471096e-05 5.62 -1.735083881e-05 -1.735083881e-05 5.64 -1.511131218e-05 -1.511131218e-05 5.66 -1.316899182e-05 -1.316899182e-05 5.68 -1.148336056e-05 -1.148336056e-05 5.70 -1.001956975e-05 -1.001956975e-05 5.72 -8.747626370e-06 -8.747626370e-06 5.74 -7.641699351e-06 -7.641699351e-06 5.76 -6.679527473e-06 -6.679527473e-06 5.78 -5.841913468e-06 -5.841913468e-06 5.80 -5.112291577e-06 -5.112291577e-06 5.82 -4.476357622e-06 -4.476357622e-06 5.84 -3.921752355e-06 -3.921752355e-06 5.86 -3.437790233e-06 -3.437790233e-06 5.88 -3.015226939e-06 -3.015226939e-06 5.90 -2.646060007e-06 -2.646060007e-06 5.92 -2.323357696e-06 -2.323357696e-06 5.94 -2.041112041e-06 -2.041112041e-06 5.96 -1.794112567e-06 -1.794112567e-06 5.98 -1.577837704e-06 -1.577837704e-06 6.00 -1.388361345e-06 -1.388361345e-06