# 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 = Al2CoW # 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 1.597390684e+02 1.597390684e+02 1.30 1.478145919e+02 1.478145919e+02 1.32 1.367853943e+02 1.367853943e+02 1.34 1.265776633e+02 1.265776633e+02 1.36 1.171243022e+02 1.171243022e+02 1.38 1.083653686e+02 1.083653686e+02 1.40 1.002473076e+02 1.002473076e+02 1.42 9.272108731e+01 9.272108731e+01 1.44 8.574018294e+01 8.574018294e+01 1.46 7.925963589e+01 7.925963589e+01 1.48 7.323687287e+01 7.323687287e+01 1.50 6.763355864e+01 6.763355864e+01 1.52 6.241683318e+01 6.241683318e+01 1.54 5.755902307e+01 5.755902307e+01 1.56 5.303634602e+01 5.303634602e+01 1.58 4.882754436e+01 4.882754436e+01 1.60 4.491285098e+01 4.491285098e+01 1.62 4.127324588e+01 4.127324588e+01 1.64 3.788993861e+01 3.788993861e+01 1.66 3.474423395e+01 3.474423395e+01 1.68 3.181824665e+01 3.181824665e+01 1.70 2.909451271e+01 2.909451271e+01 1.72 2.655695984e+01 2.655695984e+01 1.74 2.419178511e+01 2.419178511e+01 1.76 2.198696326e+01 2.198696326e+01 1.78 1.993142496e+01 1.993142496e+01 1.80 1.801829508e+01 1.801829508e+01 1.82 1.624065961e+01 1.624065961e+01 1.84 1.459045913e+01 1.459045913e+01 1.86 1.306033981e+01 1.306033981e+01 1.88 1.164342562e+01 1.164342562e+01 1.90 1.033309853e+01 1.033309853e+01 1.92 9.122810735e+00 9.122810735e+00 1.94 8.005960358e+00 8.005960358e+00 1.96 6.975862156e+00 6.975862156e+00 1.98 6.025825898e+00 6.025825898e+00 2.00 5.149321817e+00 5.149321817e+00 2.02 4.340178104e+00 4.340178104e+00 2.04 3.592732058e+00 3.592732058e+00 2.06 2.901872925e+00 2.901872925e+00 2.08 2.262975877e+00 2.262975877e+00 2.10 1.671786542e+00 1.671786542e+00 2.12 1.124327796e+00 1.124327796e+00 2.14 6.168685923e-01 6.168685923e-01 2.16 1.459530327e-01 1.459530327e-01 2.18 -2.915394101e-01 -2.915394101e-01 2.20 -6.983385487e-01 -6.983385487e-01 2.22 -1.076760367e+00 -1.076760367e+00 2.24 -1.428725845e+00 -1.428725845e+00 2.26 -1.755737091e+00 -1.755737091e+00 2.28 -2.059117019e+00 -2.059117019e+00 2.30 -2.340071486e+00 -2.340071486e+00 2.32 -2.599630150e+00 -2.599630150e+00 2.34 -2.838700436e+00 -2.838700436e+00 2.36 -3.058106627e+00 -3.058106627e+00 2.38 -3.258619049e+00 -3.258619049e+00 2.40 -3.440978185e+00 -3.440978185e+00 2.42 -3.605845787e+00 -3.605845787e+00 2.44 -3.753730245e+00 -3.753730245e+00 2.46 -3.885189869e+00 -3.885189869e+00 2.48 -4.000866698e+00 -4.000866698e+00 2.50 -4.101485438e+00 -4.101485438e+00 2.52 -4.187853938e+00 -4.187853938e+00 2.54 -4.260866946e+00 -4.260866946e+00 2.56 -4.321512079e+00 -4.321512079e+00 2.58 -4.370870794e+00 -4.370870794e+00 2.60 -4.410103809e+00 -4.410103809e+00 2.62 -4.440451289e+00 -4.440451289e+00 2.64 -4.463051804e+00 -4.463051804e+00 2.66 -4.478907231e+00 -4.478907231e+00 2.68 -4.488860539e+00 -4.488860539e+00 2.70 -4.493561455e+00 -4.493561455e+00 2.72 -4.493467834e+00 -4.493467834e+00 2.74 -4.488875337e+00 -4.488875337e+00 2.76 -4.479956071e+00 -4.479956071e+00 2.78 -4.466750247e+00 -4.466750247e+00 2.80 -4.449236476e+00 -4.449236476e+00 2.82 -4.427399600e+00 -4.427399600e+00 2.84 -4.401799230e+00 -4.401799230e+00 2.86 -4.373350337e+00 -4.373350337e+00 2.88 -4.341665639e+00 -4.341665639e+00 2.90 -4.306432722e+00 -4.306432722e+00 2.92 -4.267449122e+00 -4.267449122e+00 2.94 -4.224616638e+00 -4.224616638e+00 2.96 -4.177937558e+00 -4.177937558e+00 2.98 -4.127511389e+00 -4.127511389e+00 3.00 -4.073531914e+00 -4.073531914e+00 3.02 -4.016300950e+00 -4.016300950e+00 3.04 -3.956204253e+00 -3.956204253e+00 3.06 -3.893667589e+00 -3.893667589e+00 3.08 -3.829128158e+00 -3.829128158e+00 3.10 -3.763003902e+00 -3.763003902e+00 3.12 -3.695665137e+00 -3.695665137e+00 3.14 -3.627413425e+00 -3.627413425e+00 3.16 -3.558470476e+00 -3.558470476e+00 3.18 -3.488977907e+00 -3.488977907e+00 3.20 -3.419005877e+00 -3.419005877e+00 3.22 -3.348567756e+00 -3.348567756e+00 3.24 -3.277637683e+00 -3.277637683e+00 3.26 -3.206168539e+00 -3.206168539e+00 3.28 -3.134108741e+00 -3.134108741e+00 3.30 -3.061417076e+00 -3.061417076e+00 3.32 -2.988075281e+00 -2.988075281e+00 3.34 -2.914098306e+00 -2.914098306e+00 3.36 -2.839542144e+00 -2.839542144e+00 3.38 -2.764508994e+00 -2.764508994e+00 3.40 -2.689149410e+00 -2.689149410e+00 3.42 -2.613661096e+00 -2.613661096e+00 3.44 -2.538284088e+00 -2.538284088e+00 3.46 -2.463292455e+00 -2.463292455e+00 3.48 -2.388982953e+00 -2.388982953e+00 3.50 -2.315661514e+00 -2.315661514e+00 3.52 -2.243628790e+00 -2.243628790e+00 3.54 -2.173166087e+00 -2.173166087e+00 3.56 -2.104523021e+00 -2.104523021e+00 3.58 -2.037907921e+00 -2.037907921e+00 3.60 -1.973481637e+00 -1.973481637e+00 3.62 -1.911354939e+00 -1.911354939e+00 3.64 -1.851589265e+00 -1.851589265e+00 3.66 -1.794200254e+00 -1.794200254e+00 3.68 -1.739163319e+00 -1.739163319e+00 3.70 -1.686420431e+00 -1.686420431e+00 3.72 -1.635887374e+00 -1.635887374e+00 3.74 -1.587460843e+00 -1.587460843e+00 3.76 -1.541024917e+00 -1.541024917e+00 3.78 -1.496456626e+00 -1.496456626e+00 3.80 -1.453630472e+00 -1.453630472e+00 3.82 -1.412421881e+00 -1.412421881e+00 3.84 -1.372709684e+00 -1.372709684e+00 3.86 -1.334377734e+00 -1.334377734e+00 3.88 -1.297315824e+00 -1.297315824e+00 3.90 -1.261420080e+00 -1.261420080e+00 3.92 -1.226592953e+00 -1.226592953e+00 3.94 -1.192743000e+00 -1.192743000e+00 3.96 -1.159784461e+00 -1.159784461e+00 3.98 -1.127636861e+00 -1.127636861e+00 4.00 -1.096224630e+00 -1.096224630e+00 4.02 -1.065476840e+00 -1.065476840e+00 4.04 -1.035327133e+00 -1.035327133e+00 4.06 -1.005713883e+00 -1.005713883e+00 4.08 -9.765806534e-01 -9.765806534e-01 4.10 -9.478769467e-01 -9.478769467e-01 4.12 -9.195593887e-01 -9.195593887e-01 4.14 -8.915929775e-01 -8.915929775e-01 4.16 -8.639527606e-01 -8.639527606e-01 4.18 -8.366254506e-01 -8.366254506e-01 4.20 -8.096109076e-01 -8.096109076e-01 4.22 -7.829232012e-01 -7.829232012e-01 4.24 -7.565909623e-01 -7.565909623e-01 4.26 -7.306567556e-01 -7.306567556e-01 4.28 -7.051752876e-01 -7.051752876e-01 4.30 -6.802104070e-01 -6.802104070e-01 4.32 -6.558310413e-01 -6.558310413e-01 4.34 -6.321064071e-01 -6.321064071e-01 4.36 -6.091009781e-01 -6.091009781e-01 4.38 -5.868697673e-01 -5.868697673e-01 4.40 -5.654544334e-01 -5.654544334e-01 4.42 -5.448805935e-01 -5.448805935e-01 4.44 -5.251565220e-01 -5.251565220e-01 4.46 -5.062732116e-01 -5.062732116e-01 4.48 -4.882055952e-01 -4.882055952e-01 4.50 -4.709146204e-01 -4.709146204e-01 4.52 -4.543498285e-01 -4.543498285e-01 4.54 -4.384521131e-01 -4.384521131e-01 4.56 -4.231564026e-01 -4.231564026e-01 4.58 -4.083940898e-01 -4.083940898e-01 4.60 -3.940951200e-01 -3.940951200e-01 4.62 -3.801897176e-01 -3.801897176e-01 4.64 -3.666097851e-01 -3.666097851e-01 4.66 -3.532900392e-01 -3.532900392e-01 4.68 -3.401689662e-01 -3.401689662e-01 4.70 -3.271896790e-01 -3.271896790e-01 4.72 -3.143007553e-01 -3.143007553e-01 4.74 -3.014571036e-01 -3.014571036e-01 4.76 -2.886208985e-01 -2.886208985e-01 4.78 -2.757625889e-01 -2.757625889e-01 4.80 -2.628619430e-01 -2.628619430e-01 4.82 -2.499091350e-01 -2.499091350e-01 4.84 -2.369056013e-01 -2.369056013e-01 4.86 -2.238647977e-01 -2.238647977e-01 4.88 -2.108125228e-01 -2.108125228e-01 4.90 -1.977867481e-01 -1.977867481e-01 4.92 -1.848368265e-01 -1.848368265e-01 4.94 -1.720220115e-01 -1.720220115e-01 4.96 -1.594092616e-01 -1.594092616e-01 4.98 -1.470702025e-01 -1.470702025e-01 5.00 -1.350785839e-01 -1.350785839e-01 5.02 -1.235065756e-01 -1.235065756e-01 5.04 -1.124212762e-01 -1.124212762e-01 5.06 -1.018817246e-01 -1.018817246e-01 5.08 -9.193650059e-02 -9.193650059e-02 5.10 -8.262207981e-02 -8.262207981e-02 5.12 -7.396201611e-02 -7.396201611e-02 5.14 -6.596693415e-02 -6.596693415e-02 5.16 -5.863523519e-02 -5.863523519e-02 5.18 -5.195436471e-02 -5.195436471e-02 5.20 -4.590246334e-02 -4.590246334e-02 5.22 -4.045022100e-02 -4.045022100e-02 5.24 -3.556277364e-02 -3.556277364e-02 5.26 -3.120151372e-02 -3.120151372e-02 5.28 -2.732572286e-02 -2.732572286e-02 5.30 -2.389396865e-02 -2.389396865e-02 5.32 -2.086524724e-02 -2.086524724e-02 5.34 -1.819986831e-02 -1.819986831e-02 5.36 -1.586009777e-02 -1.586009777e-02 5.38 -1.381029198e-02 -1.381029198e-02 5.40 -1.201782867e-02 -1.201782867e-02 5.42 -1.045303264e-02 -1.045303264e-02 5.44 -9.088894134e-03 -9.088894134e-03 5.46 -7.901044708e-03 -7.901044708e-03 5.48 -6.867659011e-03 -6.867659011e-03 5.50 -5.969308163e-03 -5.969308163e-03 5.52 -5.188784572e-03 -5.188784572e-03 5.54 -4.510912907e-03 -4.510912907e-03 5.56 -3.922357852e-03 -3.922357852e-03 5.58 -3.411435989e-03 -3.411435989e-03 5.60 -2.967936672e-03 -2.967936672e-03 5.62 -2.582954849e-03 -2.582954849e-03 5.64 -2.248737397e-03 -2.248737397e-03 5.66 -1.958543570e-03 -1.958543570e-03 5.68 -1.706519456e-03 -1.706519456e-03 5.70 -1.487585910e-03 -1.487585910e-03 5.72 -1.297339139e-03 -1.297339139e-03 5.74 -1.131962951e-03 -1.131962951e-03 5.76 -9.881516466e-04 -9.881516466e-04 5.78 -8.630424726e-04 -8.630424726e-04 5.80 -7.541566478e-04 -7.541566478e-04 5.82 -6.593479770e-04 -6.593479770e-04 5.84 -5.767581732e-04 -5.767581732e-04 5.86 -5.047780720e-04 -5.047780720e-04 5.88 -4.420140055e-04 -4.420140055e-04 5.90 -3.872586796e-04 -3.872586796e-04 5.92 -3.394659730e-04 -3.394659730e-04 5.94 -2.977291431e-04 -2.977291431e-04 5.96 -2.612619883e-04 -2.612619883e-04 5.98 -2.293825699e-04 -2.293825699e-04 6.00 -2.014991509e-04 -2.014991509e-04