# 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 = Cu2TaZr # 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 2.210892081e+02 2.210892081e+02 1.30 2.043396153e+02 2.043396153e+02 1.32 1.888447199e+02 1.888447199e+02 1.34 1.745072763e+02 1.745072763e+02 1.36 1.612389890e+02 1.612389890e+02 1.38 1.489583908e+02 1.489583908e+02 1.40 1.375898456e+02 1.375898456e+02 1.42 1.270631433e+02 1.270631433e+02 1.44 1.173128641e+02 1.173128641e+02 1.46 1.082777107e+02 1.082777107e+02 1.48 9.990009951e+01 9.990009951e+01 1.50 9.212590743e+01 9.212590743e+01 1.52 8.490443635e+01 8.490443635e+01 1.54 7.818877006e+01 7.818877006e+01 1.56 7.193639432e+01 7.193639432e+01 1.58 6.610986749e+01 6.610986749e+01 1.60 6.067710636e+01 6.067710636e+01 1.62 5.561105934e+01 5.561105934e+01 1.64 5.088880114e+01 5.088880114e+01 1.66 4.649037374e+01 4.649037374e+01 1.68 4.239769941e+01 4.239769941e+01 1.70 3.859379305e+01 3.859379305e+01 1.72 3.506223539e+01 3.506223539e+01 1.74 3.178689205e+01 3.178689205e+01 1.76 2.875181396e+01 2.875181396e+01 1.78 2.594129285e+01 2.594129285e+01 1.80 2.333996319e+01 2.333996319e+01 1.82 2.093479372e+01 2.093479372e+01 1.84 1.871499893e+01 1.871499893e+01 1.86 1.666657288e+01 1.666657288e+01 1.88 1.477622814e+01 1.477622814e+01 1.90 1.303162423e+01 1.303162423e+01 1.92 1.142128369e+01 1.142128369e+01 1.94 9.934679792e+00 9.934679792e+00 1.96 8.562075838e+00 8.562075838e+00 1.98 7.294419112e+00 7.294419112e+00 2.00 6.123346485e+00 6.123346485e+00 2.02 5.041226014e+00 5.041226014e+00 2.04 4.041196686e+00 4.041196686e+00 2.06 3.117167415e+00 3.117167415e+00 2.08 2.263758350e+00 2.263758350e+00 2.10 1.476196724e+00 1.476196724e+00 2.12 7.502130623e-01 7.502130623e-01 2.14 8.194161124e-02 8.194161124e-02 2.16 -5.321460950e-01 -5.321460950e-01 2.18 -1.095309093e+00 -1.095309093e+00 2.20 -1.610601631e+00 -1.610601631e+00 2.22 -2.080948299e+00 -2.080948299e+00 2.24 -2.509195264e+00 -2.509195264e+00 2.26 -2.898134904e+00 -2.898134904e+00 2.28 -3.250517897e+00 -3.250517897e+00 2.30 -3.569037225e+00 -3.569037225e+00 2.32 -3.856342714e+00 -3.856342714e+00 2.34 -4.114998058e+00 -4.114998058e+00 2.36 -4.347464388e+00 -4.347464388e+00 2.38 -4.556051279e+00 -4.556051279e+00 2.40 -4.742877118e+00 -4.742877118e+00 2.42 -4.909852746e+00 -4.909852746e+00 2.44 -5.058681235e+00 -5.058681235e+00 2.46 -5.190881858e+00 -5.190881858e+00 2.48 -5.307813793e+00 -5.307813793e+00 2.50 -5.410613865e+00 -5.410613865e+00 2.52 -5.500375806e+00 -5.500375806e+00 2.54 -5.578191297e+00 -5.578191297e+00 2.56 -5.645009179e+00 -5.645009179e+00 2.58 -5.701711869e+00 -5.701711869e+00 2.60 -5.748985919e+00 -5.748985919e+00 2.62 -5.787422231e+00 -5.787422231e+00 2.64 -5.817594342e+00 -5.817594342e+00 2.66 -5.840002185e+00 -5.840002185e+00 2.68 -5.855026749e+00 -5.855026749e+00 2.70 -5.863083586e+00 -5.863083586e+00 2.72 -5.864627926e+00 -5.864627926e+00 2.74 -5.860056942e+00 -5.860056942e+00 2.76 -5.849660643e+00 -5.849660643e+00 2.78 -5.833719325e+00 -5.833719325e+00 2.80 -5.812500970e+00 -5.812500970e+00 2.82 -5.786240575e+00 -5.786240575e+00 2.84 -5.755148378e+00 -5.755148378e+00 2.86 -5.719415822e+00 -5.719415822e+00 2.88 -5.679226956e+00 -5.679226956e+00 2.90 -5.634769416e+00 -5.634769416e+00 2.92 -5.586242450e+00 -5.586242450e+00 2.94 -5.533860836e+00 -5.533860836e+00 2.96 -5.477854677e+00 -5.477854677e+00 2.98 -5.418465802e+00 -5.418465802e+00 3.00 -5.355941909e+00 -5.355941909e+00 3.02 -5.290711571e+00 -5.290711571e+00 3.04 -5.223156947e+00 -5.223156947e+00 3.06 -5.153239118e+00 -5.153239118e+00 3.08 -5.080932387e+00 -5.080932387e+00 3.10 -5.006239242e+00 -5.006239242e+00 3.12 -4.929179161e+00 -4.929179161e+00 3.14 -4.849793378e+00 -4.849793378e+00 3.16 -4.768132081e+00 -4.768132081e+00 3.18 -4.684263664e+00 -4.684263664e+00 3.20 -4.598274501e+00 -4.598274501e+00 3.22 -4.510289316e+00 -4.510289316e+00 3.24 -4.420479471e+00 -4.420479471e+00 3.26 -4.329042341e+00 -4.329042341e+00 3.28 -4.236203303e+00 -4.236203303e+00 3.30 -4.142217038e+00 -4.142217038e+00 3.32 -4.047364173e+00 -4.047364173e+00 3.34 -3.951942852e+00 -3.951942852e+00 3.36 -3.856256253e+00 -3.856256253e+00 3.38 -3.760598201e+00 -3.760598201e+00 3.40 -3.665238292e+00 -3.665238292e+00 3.42 -3.570415491e+00 -3.570415491e+00 3.44 -3.476323518e+00 -3.476323518e+00 3.46 -3.383112957e+00 -3.383112957e+00 3.48 -3.290890241e+00 -3.290890241e+00 3.50 -3.199720796e+00 -3.199720796e+00 3.52 -3.109634059e+00 -3.109634059e+00 3.54 -3.020629662e+00 -3.020629662e+00 3.56 -2.932684221e+00 -2.932684221e+00 3.58 -2.845758377e+00 -2.845758377e+00 3.60 -2.759803850e+00 -2.759803850e+00 3.62 -2.674770384e+00 -2.674770384e+00 3.64 -2.590612495e+00 -2.590612495e+00 3.66 -2.507295974e+00 -2.507295974e+00 3.68 -2.424804009e+00 -2.424804009e+00 3.70 -2.343142793e+00 -2.343142793e+00 3.72 -2.262346320e+00 -2.262346320e+00 3.74 -2.182480046e+00 -2.182480046e+00 3.76 -2.103642947e+00 -2.103642947e+00 3.78 -2.025967514e+00 -2.025967514e+00 3.80 -1.949617227e+00 -1.949617227e+00 3.82 -1.874781209e+00 -1.874781209e+00 3.84 -1.801666038e+00 -1.801666038e+00 3.86 -1.730485049e+00 -1.730485049e+00 3.88 -1.661445957e+00 -1.661445957e+00 3.90 -1.594737986e+00 -1.594737986e+00 3.92 -1.530518040e+00 -1.530518040e+00 3.94 -1.468909225e+00 -1.468909225e+00 3.96 -1.409981998e+00 -1.409981998e+00 3.98 -1.353761016e+00 -1.353761016e+00 4.00 -1.300224377e+00 -1.300224377e+00 4.02 -1.249308385e+00 -1.249308385e+00 4.04 -1.200914418e+00 -1.200914418e+00 4.06 -1.154916846e+00 -1.154916846e+00 4.08 -1.111171034e+00 -1.111171034e+00 4.10 -1.069516897e+00 -1.069516897e+00 4.12 -1.029801585e+00 -1.029801585e+00 4.14 -9.918591724e-01 -9.918591724e-01 4.16 -9.555329122e-01 -9.555329122e-01 4.18 -9.206736769e-01 -9.206736769e-01 4.20 -8.871424258e-01 -8.871424258e-01 4.22 -8.548120852e-01 -8.548120852e-01 4.24 -8.235690139e-01 -8.235690139e-01 4.26 -7.933141692e-01 -7.933141692e-01 4.28 -7.639640402e-01 -7.639640402e-01 4.30 -7.354513463e-01 -7.354513463e-01 4.32 -7.077254469e-01 -7.077254469e-01 4.34 -6.807523584e-01 -6.807523584e-01 4.36 -6.545142522e-01 -6.545142522e-01 4.38 -6.290083097e-01 -6.290083097e-01 4.40 -6.042448537e-01 -6.042448537e-01 4.42 -5.802447474e-01 -5.802447474e-01 4.44 -5.570361555e-01 -5.570361555e-01 4.46 -5.346508688e-01 -5.346508688e-01 4.48 -5.131204849e-01 -5.131204849e-01 4.50 -4.924727847e-01 -4.924727847e-01 4.52 -4.727286390e-01 -4.727286390e-01 4.54 -4.538997137e-01 -4.538997137e-01 4.56 -4.359871271e-01 -4.359871271e-01 4.58 -4.189810905e-01 -4.189810905e-01 4.60 -4.028614328e-01 -4.028614328e-01 4.62 -3.875988269e-01 -3.875988269e-01 4.64 -3.731564808e-01 -3.731564808e-01 4.66 -3.594920568e-01 -3.594920568e-01 4.68 -3.465596078e-01 -3.465596078e-01 4.70 -3.343113710e-01 -3.343113710e-01 4.72 -3.226990884e-01 -3.226990884e-01 4.74 -3.116757179e-01 -3.116757179e-01 4.76 -3.011963005e-01 -3.011963005e-01 4.78 -2.912183150e-01 -2.912183150e-01 4.80 -2.816989386e-01 -2.816989386e-01 4.82 -2.726085167e-01 -2.726085167e-01 4.84 -2.639098183e-01 -2.639098183e-01 4.86 -2.555724986e-01 -2.555724986e-01 4.88 -2.475691003e-01 -2.475691003e-01 4.90 -2.398748390e-01 -2.398748390e-01 4.92 -2.324673603e-01 -2.324673603e-01 4.94 -2.253264892e-01 -2.253264892e-01 4.96 -2.184339817e-01 -2.184339817e-01 4.98 -2.117732900e-01 -2.117732900e-01 5.00 -2.053293439e-01 -2.053293439e-01 5.02 -1.990883543e-01 -1.990883543e-01 5.04 -1.930376377e-01 -1.930376377e-01 5.06 -1.871654649e-01 -1.871654649e-01 5.08 -1.814609322e-01 -1.814609322e-01 5.10 -1.759138558e-01 -1.759138558e-01 5.12 -1.705146900e-01 -1.705146900e-01 5.14 -1.652544684e-01 -1.652544684e-01 5.16 -1.601247680e-01 -1.601247680e-01 5.18 -1.551176980e-01 -1.551176980e-01 5.20 -1.502259120e-01 -1.502259120e-01 5.22 -1.454426436e-01 -1.454426436e-01 5.24 -1.407617644e-01 -1.407617644e-01 5.26 -1.361778634e-01 -1.361778634e-01 5.28 -1.316863405e-01 -1.316863405e-01 5.30 -1.272835125e-01 -1.272835125e-01 5.32 -1.229667181e-01 -1.229667181e-01 5.34 -1.187344148e-01 -1.187344148e-01 5.36 -1.145862501e-01 -1.145862501e-01 5.38 -1.105230936e-01 -1.105230936e-01 5.40 -1.065470178e-01 -1.065470178e-01 5.42 -1.026612113e-01 -1.026612113e-01 5.44 -9.886981852e-02 -9.886981852e-02 5.46 -9.517770623e-02 -9.517770623e-02 5.48 -9.159016729e-02 -9.159016729e-02 5.50 -8.811257462e-02 -8.811257462e-02 5.52 -8.475001396e-02 -8.475001396e-02 5.54 -8.150692761e-02 -8.150692761e-02 5.56 -7.838679904e-02 -7.838679904e-02 5.58 -7.539190492e-02 -7.539190492e-02 5.60 -7.252304677e-02 -7.252304677e-02 5.62 -6.977963895e-02 -6.977963895e-02 5.64 -6.715984431e-02 -6.715984431e-02 5.66 -6.466048108e-02 -6.466048108e-02 5.68 -6.227719308e-02 -6.227719308e-02 5.70 -6.000465942e-02 -6.000465942e-02 5.72 -5.783682059e-02 -5.783682059e-02 5.74 -5.576710207e-02 -5.576710207e-02 5.76 -5.378862079e-02 -5.378862079e-02 5.78 -5.189436510e-02 -5.189436510e-02 5.80 -5.007734342e-02 -5.007734342e-02 5.82 -4.833070071e-02 -4.833070071e-02 5.84 -4.664780476e-02 -4.664780476e-02 5.86 -4.502230630e-02 -4.502230630e-02 5.88 -4.344817762e-02 -4.344817762e-02 5.90 -4.191973516e-02 -4.191973516e-02 5.92 -4.043165093e-02 -4.043165093e-02 5.94 -3.897895745e-02 -3.897895745e-02 5.96 -3.755705034e-02 -3.755705034e-02 5.98 -3.616169169e-02 -3.616169169e-02 6.00 -3.478901700e-02 -3.478901700e-02