# 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 = AlMo2Pd # 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 2.528049671e+02 2.528049671e+02 1.30 2.346253714e+02 2.346253714e+02 1.32 2.177585319e+02 2.177585319e+02 1.34 2.020971832e+02 2.020971832e+02 1.36 1.875459068e+02 1.875459068e+02 1.38 1.740192693e+02 1.740192693e+02 1.40 1.614402157e+02 1.614402157e+02 1.42 1.497384615e+02 1.497384615e+02 1.44 1.388492257e+02 1.388492257e+02 1.46 1.287123759e+02 1.287123759e+02 1.48 1.192718944e+02 1.192718944e+02 1.50 1.104757996e+02 1.104757996e+02 1.52 1.022764402e+02 1.022764402e+02 1.54 9.463064923e+01 9.463064923e+01 1.56 8.749940289e+01 8.749940289e+01 1.58 8.084708619e+01 8.084708619e+01 1.60 7.464066771e+01 7.464066771e+01 1.62 6.884902298e+01 6.884902298e+01 1.64 6.344251619e+01 6.344251619e+01 1.66 5.839286748e+01 5.839286748e+01 1.68 5.367330645e+01 5.367330645e+01 1.70 4.925894812e+01 4.925894812e+01 1.72 4.512722093e+01 4.512722093e+01 1.74 4.126099822e+01 4.126099822e+01 1.76 3.764564396e+01 3.764564396e+01 1.78 3.427013619e+01 3.427013619e+01 1.80 3.113658508e+01 3.113658508e+01 1.82 2.823437044e+01 2.823437044e+01 1.84 2.555005482e+01 2.555005482e+01 1.86 2.307032054e+01 2.307032054e+01 1.88 2.078198149e+01 2.078198149e+01 1.90 1.867207533e+01 1.867207533e+01 1.92 1.672802161e+01 1.672802161e+01 1.94 1.493773541e+01 1.493773541e+01 1.96 1.328965968e+01 1.328965968e+01 1.98 1.177275506e+01 1.177275506e+01 2.00 1.037650921e+01 1.037650921e+01 2.02 9.090987615e+00 9.090987615e+00 2.04 7.906892198e+00 7.906892198e+00 2.06 6.815581610e+00 6.815581610e+00 2.08 5.809043709e+00 5.809043709e+00 2.10 4.879851952e+00 4.879851952e+00 2.12 4.021145401e+00 4.021145401e+00 2.14 3.226647827e+00 3.226647827e+00 2.16 2.490711125e+00 2.490711125e+00 2.18 1.808352661e+00 1.808352661e+00 2.20 1.175260065e+00 1.175260065e+00 2.22 5.877524518e-01 5.877524518e-01 2.24 4.270379683e-02 4.270379683e-02 2.26 -4.625553550e-01 -4.625553550e-01 2.28 -9.303394762e-01 -9.303394762e-01 2.30 -1.362698936e+00 -1.362698936e+00 2.32 -1.761493205e+00 -1.761493205e+00 2.34 -2.128445322e+00 -2.128445322e+00 2.36 -2.465180543e+00 -2.465180543e+00 2.38 -2.773253035e+00 -2.773253035e+00 2.40 -3.054164586e+00 -3.054164586e+00 2.42 -3.309378277e+00 -3.309378277e+00 2.44 -3.540328661e+00 -3.540328661e+00 2.46 -3.748428190e+00 -3.748428190e+00 2.48 -3.935068077e+00 -3.935068077e+00 2.50 -4.101489357e+00 -4.101489357e+00 2.52 -4.248876496e+00 -4.248876496e+00 2.54 -4.378756379e+00 -4.378756379e+00 2.56 -4.492565117e+00 -4.492565117e+00 2.58 -4.591628797e+00 -4.591628797e+00 2.60 -4.677163242e+00 -4.677163242e+00 2.62 -4.750271970e+00 -4.750271970e+00 2.64 -4.811940415e+00 -4.811940415e+00 2.66 -4.862959367e+00 -4.862959367e+00 2.68 -4.903632103e+00 -4.903632103e+00 2.70 -4.934115931e+00 -4.934115931e+00 2.72 -4.954576328e+00 -4.954576328e+00 2.74 -4.965192046e+00 -4.965192046e+00 2.76 -4.966163124e+00 -4.966163124e+00 2.78 -4.957719456e+00 -4.957719456e+00 2.80 -4.940128665e+00 -4.940128665e+00 2.82 -4.913703431e+00 -4.913703431e+00 2.84 -4.878991412e+00 -4.878991412e+00 2.86 -4.836737841e+00 -4.836737841e+00 2.88 -4.787853896e+00 -4.787853896e+00 2.90 -4.732592127e+00 -4.732592127e+00 2.92 -4.671271089e+00 -4.671271089e+00 2.94 -4.604327039e+00 -4.604327039e+00 2.96 -4.532294074e+00 -4.532294074e+00 2.98 -4.455777769e+00 -4.455777769e+00 3.00 -4.375424415e+00 -4.375424415e+00 3.02 -4.291910288e+00 -4.291910288e+00 3.04 -4.205924553e+00 -4.205924553e+00 3.06 -4.118098914e+00 -4.118098914e+00 3.08 -4.028972263e+00 -4.028972263e+00 3.10 -3.938974532e+00 -3.938974532e+00 3.12 -3.848418901e+00 -3.848418901e+00 3.14 -3.757502868e+00 -3.757502868e+00 3.16 -3.666317606e+00 -3.666317606e+00 3.18 -3.574864409e+00 -3.574864409e+00 3.20 -3.483076071e+00 -3.483076071e+00 3.22 -3.390841039e+00 -3.390841039e+00 3.24 -3.298028292e+00 -3.298028292e+00 3.26 -3.204511406e+00 -3.204511406e+00 3.28 -3.110190723e+00 -3.110190723e+00 3.30 -3.015012886e+00 -3.015012886e+00 3.32 -2.918987131e+00 -2.918987131e+00 3.34 -2.822197685e+00 -2.822197685e+00 3.36 -2.724811507e+00 -2.724811507e+00 3.38 -2.627080624e+00 -2.627080624e+00 3.40 -2.529338385e+00 -2.529338385e+00 3.42 -2.431989409e+00 -2.431989409e+00 3.44 -2.335493490e+00 -2.335493490e+00 3.46 -2.240344534e+00 -2.240344534e+00 3.48 -2.147046202e+00 -2.147046202e+00 3.50 -2.056086504e+00 -2.056086504e+00 3.52 -1.967913763e+00 -1.967913763e+00 3.54 -1.882916168e+00 -1.882916168e+00 3.56 -1.801406635e+00 -1.801406635e+00 3.58 -1.723613896e+00 -1.723613896e+00 3.60 -1.649679925e+00 -1.649679925e+00 3.62 -1.579663081e+00 -1.579663081e+00 3.64 -1.513545785e+00 -1.513545785e+00 3.66 -1.451245320e+00 -1.451245320e+00 3.68 -1.392626289e+00 -1.392626289e+00 3.70 -1.337513458e+00 -1.337513458e+00 3.72 -1.285703968e+00 -1.285703968e+00 3.74 -1.236978228e+00 -1.236978228e+00 3.76 -1.191109119e+00 -1.191109119e+00 3.78 -1.147869371e+00 -1.147869371e+00 3.80 -1.107037162e+00 -1.107037162e+00 3.82 -1.068400134e+00 -1.068400134e+00 3.84 -1.031758054e+00 -1.031758054e+00 3.86 -9.969244061e-01 -9.969244061e-01 3.88 -9.637271556e-01 -9.637271556e-01 3.90 -9.320089386e-01 -9.320089386e-01 3.92 -9.016268625e-01 -9.016268625e-01 3.94 -8.724520998e-01 -8.724520998e-01 3.96 -8.443693404e-01 -8.443693404e-01 3.98 -8.172762455e-01 -8.172762455e-01 4.00 -7.910828879e-01 -7.910828879e-01 4.02 -7.657112032e-01 -7.657112032e-01 4.04 -7.410944220e-01 -7.410944220e-01 4.06 -7.171764463e-01 -7.171764463e-01 4.08 -6.939111229e-01 -6.939111229e-01 4.10 -6.712613771e-01 -6.712613771e-01 4.12 -6.491982745e-01 -6.491982745e-01 4.14 -6.276998559e-01 -6.276998559e-01 4.16 -6.067500696e-01 -6.067500696e-01 4.18 -5.863376812e-01 -5.863376812e-01 4.20 -5.664553153e-01 -5.664553153e-01 4.22 -5.470986661e-01 -5.470986661e-01 4.24 -5.282658445e-01 -5.282658445e-01 4.26 -5.099568165e-01 -5.099568165e-01 4.28 -4.921728243e-01 -4.921728243e-01 4.30 -4.749157240e-01 -4.749157240e-01 4.32 -4.581871477e-01 -4.581871477e-01 4.34 -4.419874139e-01 -4.419874139e-01 4.36 -4.263143140e-01 -4.263143140e-01 4.38 -4.111626875e-01 -4.111626875e-01 4.40 -3.965229107e-01 -3.965229107e-01 4.42 -3.823802479e-01 -3.823802479e-01 4.44 -3.687146516e-01 -3.687146516e-01 4.46 -3.555009636e-01 -3.555009636e-01 4.48 -3.427094946e-01 -3.427094946e-01 4.50 -3.303069046e-01 -3.303069046e-01 4.52 -3.182573093e-01 -3.182573093e-01 4.54 -3.065234960e-01 -3.065234960e-01 4.56 -2.950681626e-01 -2.950681626e-01 4.58 -2.838550864e-01 -2.838550864e-01 4.60 -2.728502028e-01 -2.728502028e-01 4.62 -2.620224930e-01 -2.620224930e-01 4.64 -2.513448028e-01 -2.513448028e-01 4.66 -2.407946368e-01 -2.407946368e-01 4.68 -2.303543528e-01 -2.303543528e-01 4.70 -2.200114017e-01 -2.200114017e-01 4.72 -2.097583803e-01 -2.097583803e-01 4.74 -1.995929016e-01 -1.995929016e-01 4.76 -1.895173139e-01 -1.895173139e-01 4.78 -1.795383116e-01 -1.795383116e-01 4.80 -1.696664822e-01 -1.696664822e-01 4.82 -1.599158790e-01 -1.599158790e-01 4.84 -1.503035703e-01 -1.503035703e-01 4.86 -1.408493103e-01 -1.408493103e-01 4.88 -1.315752304e-01 -1.315752304e-01 4.90 -1.225055560e-01 -1.225055560e-01 4.92 -1.136662842e-01 -1.136662842e-01 4.94 -1.050847605e-01 -1.050847605e-01 4.96 -9.678909993e-02 -9.678909993e-02 4.98 -8.880742500e-02 -8.880742500e-02 5.00 -8.116693245e-02 -8.116693245e-02 5.02 -7.389283901e-02 -7.389283901e-02 5.04 -6.700729197e-02 -6.700729197e-02 5.06 -6.052834851e-02 -6.052834851e-02 5.08 -5.446912776e-02 -5.446912776e-02 5.10 -4.883722020e-02 -4.883722020e-02 5.12 -4.363441135e-02 -4.363441135e-02 5.14 -3.885673725e-02 -3.885673725e-02 5.16 -3.449482619e-02 -3.449482619e-02 5.18 -3.053450095e-02 -3.053450095e-02 5.20 -2.695754280e-02 -2.695754280e-02 5.22 -2.374258310e-02 -2.374258310e-02 5.24 -2.086601184e-02 -2.086601184e-02 5.26 -1.830284201e-02 -1.830284201e-02 5.28 -1.602733652e-02 -1.602733652e-02 5.30 -1.401367972e-02 -1.401367972e-02 5.32 -1.223730929e-02 -1.223730929e-02 5.34 -1.067459503e-02 -1.067459503e-02 5.36 -9.303146339e-03 -9.303146339e-03 5.38 -8.102053697e-03 -8.102053697e-03 5.40 -7.052026267e-03 -7.052026267e-03 5.42 -6.135447292e-03 -6.135447292e-03 5.44 -5.336366910e-03 -5.336366910e-03 5.46 -4.640449606e-03 -4.640449606e-03 5.48 -4.034890567e-03 -4.034890567e-03 5.50 -3.508312462e-03 -3.508312462e-03 5.52 -3.050651583e-03 -3.050651583e-03 5.54 -2.653040041e-03 -2.653040041e-03 5.56 -2.307688888e-03 -2.307688888e-03 5.58 -2.007775507e-03 -2.007775507e-03 5.60 -1.747337449e-03 -1.747337449e-03 5.62 -1.521174017e-03 -1.521174017e-03 5.64 -1.324756209e-03 -1.324756209e-03 5.66 -1.154145170e-03 -1.154145170e-03 5.68 -1.005918985e-03 -1.005918985e-03 5.70 -8.771074033e-04 -8.771074033e-04 5.72 -7.651339723e-04 -7.651339723e-04 5.74 -6.677649905e-04 -6.677649905e-04 5.76 -5.830646420e-04 -5.830646420e-04 5.78 -5.093557015e-04 -5.093557015e-04 5.80 -4.451852099e-04 -4.451852099e-04 5.82 -3.892945598e-04 -3.892945598e-04 5.84 -3.405934739e-04 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