# 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 = Au2MgPd # 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 3.855094878e+02 3.855094878e+02 1.30 3.574903232e+02 3.574903232e+02 1.32 3.315344424e+02 3.315344424e+02 1.34 3.074772756e+02 3.074772756e+02 1.36 2.851682993e+02 2.851682993e+02 1.38 2.644697364e+02 2.644697364e+02 1.40 2.452559036e+02 2.452559036e+02 1.42 2.274125046e+02 2.274125046e+02 1.44 2.108354938e+02 2.108354938e+02 1.46 1.954296091e+02 1.954296091e+02 1.48 1.811070026e+02 1.811070026e+02 1.50 1.677863722e+02 1.677863722e+02 1.52 1.553926002e+02 1.553926002e+02 1.54 1.438565495e+02 1.438565495e+02 1.56 1.331147206e+02 1.331147206e+02 1.58 1.231087667e+02 1.231087667e+02 1.60 1.137850061e+02 1.137850061e+02 1.62 1.050939537e+02 1.050939537e+02 1.64 9.698988540e+01 9.698988540e+01 1.66 8.943050212e+01 8.943050212e+01 1.68 8.237673696e+01 8.237673696e+01 1.70 7.580727507e+01 7.580727507e+01 1.72 6.970448542e+01 6.970448542e+01 1.74 6.404854125e+01 6.404854125e+01 1.76 5.880905328e+01 5.880905328e+01 1.78 5.395554027e+01 5.395554027e+01 1.80 4.945981093e+01 4.945981093e+01 1.82 4.529566882e+01 4.529566882e+01 1.84 4.143875279e+01 4.143875279e+01 1.86 3.786650924e+01 3.786650924e+01 1.88 3.455821705e+01 3.455821705e+01 1.90 3.149496302e+01 3.149496302e+01 1.92 2.865949462e+01 2.865949462e+01 1.94 2.603595638e+01 2.603595638e+01 1.96 2.360959487e+01 2.360959487e+01 1.98 2.136652822e+01 2.136652822e+01 2.00 1.929363596e+01 1.929363596e+01 2.02 1.737855260e+01 1.737855260e+01 2.04 1.560970746e+01 1.560970746e+01 2.06 1.397635300e+01 1.397635300e+01 2.08 1.246855510e+01 1.246855510e+01 2.10 1.107714927e+01 1.107714927e+01 2.12 9.793679725e+00 9.793679725e+00 2.14 8.610336620e+00 8.610336620e+00 2.16 7.519897915e+00 7.519897915e+00 2.18 6.515677544e+00 6.515677544e+00 2.20 5.591481963e+00 5.591481963e+00 2.22 4.741572890e+00 4.741572890e+00 2.24 3.960637411e+00 3.960637411e+00 2.26 3.243762291e+00 3.243762291e+00 2.28 2.586408718e+00 2.586408718e+00 2.30 1.984384865e+00 1.984384865e+00 2.32 1.433814122e+00 1.433814122e+00 2.34 9.311013436e-01 9.311013436e-01 2.36 4.729006130e-01 4.729006130e-01 2.38 5.608775662e-02 5.608775662e-02 2.40 -3.222607325e-01 -3.222607325e-01 2.42 -6.648841054e-01 -6.648841054e-01 2.44 -9.743513040e-01 -9.743513040e-01 2.46 -1.253077126e+00 -1.253077126e+00 2.48 -1.503340115e+00 -1.503340115e+00 2.50 -1.727300518e+00 -1.727300518e+00 2.52 -1.927014622e+00 -1.927014622e+00 2.54 -2.104442895e+00 -2.104442895e+00 2.56 -2.261451514e+00 -2.261451514e+00 2.58 -2.399808354e+00 -2.399808354e+00 2.60 -2.521174634e+00 -2.521174634e+00 2.62 -2.627093402e+00 -2.627093402e+00 2.64 -2.719111835e+00 -2.719111835e+00 2.66 -2.798580088e+00 -2.798580088e+00 2.68 -2.866752336e+00 -2.866752336e+00 2.70 -2.924316668e+00 -2.924316668e+00 2.72 -2.971876260e+00 -2.971876260e+00 2.74 -3.009997312e+00 -3.009997312e+00 2.76 -3.039216606e+00 -3.039216606e+00 2.78 -3.060049548e+00 -3.060049548e+00 2.80 -3.072991205e+00 -3.072991205e+00 2.82 -3.078526039e+00 -3.078526039e+00 2.84 -3.077176476e+00 -3.077176476e+00 2.86 -3.069468788e+00 -3.069468788e+00 2.88 -3.055921607e+00 -3.055921607e+00 2.90 -3.037047657e+00 -3.037047657e+00 2.92 -3.013353183e+00 -3.013353183e+00 2.94 -2.985335316e+00 -2.985335316e+00 2.96 -2.953478099e+00 -2.953478099e+00 2.98 -2.918248285e+00 -2.918248285e+00 3.00 -2.880091923e+00 -2.880091923e+00 3.02 -2.839432095e+00 -2.839432095e+00 3.04 -2.796667184e+00 -2.796667184e+00 3.06 -2.752169866e+00 -2.752169866e+00 3.08 -2.706283170e+00 -2.706283170e+00 3.10 -2.659317792e+00 -2.659317792e+00 3.12 -2.611548122e+00 -2.611548122e+00 3.14 -2.563210680e+00 -2.563210680e+00 3.16 -2.514502920e+00 -2.514502920e+00 3.18 -2.465586593e+00 -2.465586593e+00 3.20 -2.416592181e+00 -2.416592181e+00 3.22 -2.367624813e+00 -2.367624813e+00 3.24 -2.318770451e+00 -2.318770451e+00 3.26 -2.270101539e+00 -2.270101539e+00 3.28 -2.221693044e+00 -2.221693044e+00 3.30 -2.173607197e+00 -2.173607197e+00 3.32 -2.125880250e+00 -2.125880250e+00 3.34 -2.078549396e+00 -2.078549396e+00 3.36 -2.031652441e+00 -2.031652441e+00 3.38 -1.985227101e+00 -1.985227101e+00 3.40 -1.939310290e+00 -1.939310290e+00 3.42 -1.893937747e+00 -1.893937747e+00 3.44 -1.849142023e+00 -1.849142023e+00 3.46 -1.804934834e+00 -1.804934834e+00 3.48 -1.761315498e+00 -1.761315498e+00 3.50 -1.718287432e+00 -1.718287432e+00 3.52 -1.675857213e+00 -1.675857213e+00 3.54 -1.634033374e+00 -1.634033374e+00 3.56 -1.592825321e+00 -1.592825321e+00 3.58 -1.552242391e+00 -1.552242391e+00 3.60 -1.512293054e+00 -1.512293054e+00 3.62 -1.472984280e+00 -1.472984280e+00 3.64 -1.434321064e+00 -1.434321064e+00 3.66 -1.396306101e+00 -1.396306101e+00 3.68 -1.358939623e+00 -1.358939623e+00 3.70 -1.322219377e+00 -1.322219377e+00 3.72 -1.286140746e+00 -1.286140746e+00 3.74 -1.250696992e+00 -1.250696992e+00 3.76 -1.215879601e+00 -1.215879601e+00 3.78 -1.181678701e+00 -1.181678701e+00 3.80 -1.148083511e+00 -1.148083511e+00 3.82 -1.115082777e+00 -1.115082777e+00 3.84 -1.082665149e+00 -1.082665149e+00 3.86 -1.050819467e+00 -1.050819467e+00 3.88 -1.019534947e+00 -1.019534947e+00 3.90 -9.888012774e-01 -9.888012774e-01 3.92 -9.586085867e-01 -9.586085867e-01 3.94 -9.289478890e-01 -9.289478890e-01 3.96 -8.998106277e-01 -8.998106277e-01 3.98 -8.711893553e-01 -8.711893553e-01 4.00 -8.430779957e-01 -8.430779957e-01 4.02 -8.154723126e-01 -8.154723126e-01 4.04 -7.883704091e-01 -7.883704091e-01 4.06 -7.617731771e-01 -7.617731771e-01 4.08 -7.356846090e-01 -7.356846090e-01 4.10 -7.101116164e-01 -7.101116164e-01 4.12 -6.850650491e-01 -6.850650491e-01 4.14 -6.605574156e-01 -6.605574156e-01 4.16 -6.366035601e-01 -6.366035601e-01 4.18 -6.132195319e-01 -6.132195319e-01 4.20 -5.904217560e-01 -5.904217560e-01 4.22 -5.682262393e-01 -5.682262393e-01 4.24 -5.466478637e-01 -5.466478637e-01 4.26 -5.256997775e-01 -5.256997775e-01 4.28 -5.053928568e-01 -5.053928568e-01 4.30 -4.857351939e-01 -4.857351939e-01 4.32 -4.667315741e-01 -4.667315741e-01 4.34 -4.483829365e-01 -4.483829365e-01 4.36 -4.306858502e-01 -4.306858502e-01 4.38 -4.136320730e-01 -4.136320730e-01 4.40 -3.972082752e-01 -3.972082752e-01 4.42 -3.813959993e-01 -3.813959993e-01 4.44 -3.661719012e-01 -3.661719012e-01 4.46 -3.515082753e-01 -3.515082753e-01 4.48 -3.373738289e-01 -3.373738289e-01 4.50 -3.237346414e-01 -3.237346414e-01 4.52 -3.105552316e-01 -3.105552316e-01 4.54 -2.977996565e-01 -2.977996565e-01 4.56 -2.854325757e-01 -2.854325757e-01 4.58 -2.734202341e-01 -2.734202341e-01 4.60 -2.617313279e-01 -2.617313279e-01 4.62 -2.503377342e-01 -2.503377342e-01 4.64 -2.392150911e-01 -2.392150911e-01 4.66 -2.283432177e-01 -2.283432177e-01 4.68 -2.177063692e-01 -2.177063692e-01 4.70 -2.072933198e-01 -2.072933198e-01 4.72 -1.970972770e-01 -1.970972770e-01 4.74 -1.871156339e-01 -1.871156339e-01 4.76 -1.773495825e-01 -1.773495825e-01 4.78 -1.678036202e-01 -1.678036202e-01 4.80 -1.584847996e-01 -1.584847996e-01 4.82 -1.494029633e-01 -1.494029633e-01 4.84 -1.405689310e-01 -1.405689310e-01 4.86 -1.319949006e-01 -1.319949006e-01 4.88 -1.236937969e-01 -1.236937969e-01 4.90 -1.156789155e-01 -1.156789155e-01 4.92 -1.079636016e-01 -1.079636016e-01 4.94 -1.005609271e-01 -1.005609271e-01 4.96 -9.348333308e-02 -9.348333308e-02 4.98 -8.674221682e-02 -8.674221682e-02 5.00 -8.034746158e-02 -8.034746158e-02 5.02 -7.430693293e-02 -7.430693293e-02 5.04 -6.862598216e-02 -6.862598216e-02 5.06 -6.330701002e-02 -6.330701002e-02 5.08 -5.834914293e-02 -5.834914293e-02 5.10 -5.374806388e-02 -5.374806388e-02 5.12 -4.949601432e-02 -4.949601432e-02 5.14 -4.558198021e-02 -4.558198021e-02 5.16 -4.199204948e-02 -4.199204948e-02 5.18 -3.870988742e-02 -3.870988742e-02 5.20 -3.571722168e-02 -3.571722168e-02 5.22 -3.299374717e-02 -3.299374717e-02 5.24 -3.051959751e-02 -3.051959751e-02 5.26 -2.827487605e-02 -2.827487605e-02 5.28 -2.623969860e-02 -2.623969860e-02 5.30 -2.439470117e-02 -2.439470117e-02 5.32 -2.272148256e-02 -2.272148256e-02 5.34 -2.120276241e-02 -2.120276241e-02 5.36 -1.982254850e-02 -1.982254850e-02 5.38 -1.856619702e-02 -1.856619702e-02 5.40 -1.742047134e-02 -1.742047134e-02 5.42 -1.637354553e-02 -1.637354553e-02 5.44 -1.541489957e-02 -1.541489957e-02 5.46 -1.453522723e-02 -1.453522723e-02 5.48 -1.372632678e-02 -1.372632678e-02 5.50 -1.298098274e-02 -1.298098274e-02 5.52 -1.229284599e-02 -1.229284599e-02 5.54 -1.165631800e-02 -1.165631800e-02 5.56 -1.106644349e-02 -1.106644349e-02 5.58 -1.051881477e-02 -1.051881477e-02 5.60 -1.000948928e-02 -1.000948928e-02 5.62 -9.534920679e-03 -9.534920679e-03 5.64 -9.091902906e-03 -9.091902906e-03 5.66 -8.677525572e-03 -8.677525572e-03 5.68 -8.289138902e-03 -8.289138902e-03 5.70 -7.924326089e-03 -7.924326089e-03 5.72 -7.580881143e-03 -7.580881143e-03 5.74 -7.256790584e-03 -7.256790584e-03 5.76 -6.950217677e-03 -6.950217677e-03 5.78 -6.659488309e-03 -6.659488309e-03 5.80 -6.383077919e-03 -6.383077919e-03 5.82 -6.119599200e-03 -6.119599200e-03 5.84 -5.867790451e-03 -5.867790451e-03 5.86 -5.626504632e-03 -5.626504632e-03 5.88 -5.394699198e-03 -5.394699198e-03 5.90 -5.171426872e-03 -5.171426872e-03 5.92 -4.955827480e-03 -4.955827480e-03 5.94 -4.747120976e-03 -4.747120976e-03 5.96 -4.544601746e-03 -4.544601746e-03 5.98 -4.347634259e-03 -4.347634259e-03 6.00 -4.155650079e-03 -4.155650079e-03