# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Al # implementation = 2025--Sharifi-H--Cu-Ni-Al--LAMMPS--ipr1 # composition = AlCuNi2 # 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 2025-07-01 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 6.021707167e+02 6.021707167e+02 1.00 5.666933938e+02 5.666933938e+02 1.02 5.323112109e+02 5.323112109e+02 1.04 4.988723871e+02 4.988723871e+02 1.06 4.663444790e+02 4.663444790e+02 1.08 4.347669431e+02 4.347669431e+02 1.10 4.042173622e+02 4.042173622e+02 1.12 3.747880599e+02 3.747880599e+02 1.14 3.465704798e+02 3.465704798e+02 1.16 3.196453198e+02 3.196453198e+02 1.18 2.940768572e+02 2.940768572e+02 1.20 2.699102588e+02 2.699102588e+02 1.22 2.471709739e+02 2.471709739e+02 1.24 2.258655074e+02 2.258655074e+02 1.26 2.059830666e+02 2.059830666e+02 1.28 1.874977014e+02 1.874977014e+02 1.30 1.703706924e+02 1.703706924e+02 1.32 1.545529685e+02 1.545529685e+02 1.34 1.399874287e+02 1.399874287e+02 1.36 1.266110912e+02 1.266110912e+02 1.38 1.143570255e+02 1.143570255e+02 1.40 1.031560320e+02 1.031560320e+02 1.42 9.293807569e+01 9.293807569e+01 1.44 8.363349143e+01 8.363349143e+01 1.46 7.517396343e+01 7.517396343e+01 1.48 6.749329943e+01 6.749329943e+01 1.50 6.052802114e+01 6.052802114e+01 1.52 5.421779278e+01 5.421779278e+01 1.54 4.850571060e+01 4.850571060e+01 1.56 4.333847570e+01 4.333847570e+01 1.58 3.866647110e+01 3.866647110e+01 1.60 3.444375955e+01 3.444375955e+01 1.62 3.062801983e+01 3.062801983e+01 1.64 2.718043528e+01 2.718043528e+01 1.66 2.406554588e+01 2.406554588e+01 1.68 2.125107568e+01 2.125107568e+01 1.70 1.870774326e+01 1.870774326e+01 1.72 1.640906226e+01 1.640906226e+01 1.74 1.433113862e+01 1.433113862e+01 1.76 1.245246371e+01 1.245246371e+01 1.78 1.075374462e+01 1.075374462e+01 1.80 9.217718108e+00 9.217718108e+00 1.82 7.828899231e+00 7.828899231e+00 1.84 6.573351964e+00 6.573351964e+00 1.86 5.438477018e+00 5.438477018e+00 1.88 4.412880927e+00 4.412880927e+00 1.90 3.486264674e+00 3.486264674e+00 1.92 2.649322489e+00 2.649322489e+00 1.94 1.893647793e+00 1.893647793e+00 1.96 1.211630153e+00 1.211630153e+00 1.98 5.963646561e-01 5.963646561e-01 2.00 4.158663702e-02 4.158663702e-02 2.02 -4.583862477e-01 -4.583862477e-01 2.04 -9.087058425e-01 -9.087058425e-01 2.06 -1.314033900e+00 -1.314033900e+00 2.08 -1.678592412e+00 -1.678592412e+00 2.10 -2.006208617e+00 -2.006208617e+00 2.12 -2.300351003e+00 -2.300351003e+00 2.14 -2.564162285e+00 -2.564162285e+00 2.16 -2.800489978e+00 -2.800489978e+00 2.18 -3.011911604e+00 -3.011911604e+00 2.20 -3.200757929e+00 -3.200757929e+00 2.22 -3.369138559e+00 -3.369138559e+00 2.24 -3.518962833e+00 -3.518962833e+00 2.26 -3.651958449e+00 -3.651958449e+00 2.28 -3.769688198e+00 -3.769688198e+00 2.30 -3.873495150e+00 -3.873495150e+00 2.32 -3.964433841e+00 -3.964433841e+00 2.34 -4.043457034e+00 -4.043457034e+00 2.36 -4.111450818e+00 -4.111450818e+00 2.38 -4.169239376e+00 -4.169239376e+00 2.40 -4.217589398e+00 -4.217589398e+00 2.42 -4.257214185e+00 -4.257214185e+00 2.44 -4.288777449e+00 -4.288777449e+00 2.46 -4.312896832e+00 -4.312896832e+00 2.48 -4.330150205e+00 -4.330150205e+00 2.50 -4.341106804e+00 -4.341106804e+00 2.52 -4.346311498e+00 -4.346311498e+00 2.54 -4.346266510e+00 -4.346266510e+00 2.56 -4.341434487e+00 -4.341434487e+00 2.58 -4.332241636e+00 -4.332241636e+00 2.60 -4.319080600e+00 -4.319080600e+00 2.62 -4.302313111e+00 -4.302313111e+00 2.64 -4.282272437e+00 -4.282272437e+00 2.66 -4.259265636e+00 -4.259265636e+00 2.68 -4.233575624e+00 -4.233575624e+00 2.70 -4.205463091e+00 -4.205463091e+00 2.72 -4.175168258e+00 -4.175168258e+00 2.74 -4.142912494e+00 -4.142912494e+00 2.76 -4.108899810e+00 -4.108899810e+00 2.78 -4.073318229e+00 -4.073318229e+00 2.80 -4.036341050e+00 -4.036341050e+00 2.82 -3.998128009e+00 -3.998128009e+00 2.84 -3.958826347e+00 -3.958826347e+00 2.86 -3.918571795e+00 -3.918571795e+00 2.88 -3.877489476e+00 -3.877489476e+00 2.90 -3.835694741e+00 -3.835694741e+00 2.92 -3.793293926e+00 -3.793293926e+00 2.94 -3.750385062e+00 -3.750385062e+00 2.96 -3.707058516e+00 -3.707058516e+00 2.98 -3.663397587e+00 -3.663397587e+00 3.00 -3.619479047e+00 -3.619479047e+00 3.02 -3.575373649e+00 -3.575373649e+00 3.04 -3.531146578e+00 -3.531146578e+00 3.06 -3.486857878e+00 -3.486857878e+00 3.08 -3.442562841e+00 -3.442562841e+00 3.10 -3.398312355e+00 -3.398312355e+00 3.12 -3.354153240e+00 -3.354153240e+00 3.14 -3.310128538e+00 -3.310128538e+00 3.16 -3.266277794e+00 -3.266277794e+00 3.18 -3.222637305e+00 -3.222637305e+00 3.20 -3.179240348e+00 -3.179240348e+00 3.22 -3.136117399e+00 -3.136117399e+00 3.24 -3.093296321e+00 -3.093296321e+00 3.26 -3.050802542e+00 -3.050802542e+00 3.28 -3.008659223e+00 -3.008659223e+00 3.30 -2.966887405e+00 -2.966887405e+00 3.32 -2.925506146e+00 -2.925506146e+00 3.34 -2.884532653e+00 -2.884532653e+00 3.36 -2.843982391e+00 -2.843982391e+00 3.38 -2.803869199e+00 -2.803869199e+00 3.40 -2.764205383e+00 -2.764205383e+00 3.42 -2.725001816e+00 -2.725001816e+00 3.44 -2.686268014e+00 -2.686268014e+00 3.46 -2.648012227e+00 -2.648012227e+00 3.48 -2.610241506e+00 -2.610241506e+00 3.50 -2.572961776e+00 -2.572961776e+00 3.52 -2.536177904e+00 -2.536177904e+00 3.54 -2.499893757e+00 -2.499893757e+00 3.56 -2.464112267e+00 -2.464112267e+00 3.58 -2.428835482e+00 -2.428835482e+00 3.60 -2.394064624e+00 -2.394064624e+00 3.62 -2.359800135e+00 -2.359800135e+00 3.64 -2.326041726e+00 -2.326041726e+00 3.66 -2.292788426e+00 -2.292788426e+00 3.68 -2.260038615e+00 -2.260038615e+00 3.70 -2.227790073e+00 -2.227790073e+00 3.72 -2.196040006e+00 -2.196040006e+00 3.74 -2.164785083e+00 -2.164785083e+00 3.76 -2.134021458e+00 -2.134021458e+00 3.78 -2.103744796e+00 -2.103744796e+00 3.80 -2.073950291e+00 -2.073950291e+00 3.82 -2.044632676e+00 -2.044632676e+00 3.84 -2.015786232e+00 -2.015786232e+00 3.86 -1.987404794e+00 -1.987404794e+00 3.88 -1.959481750e+00 -1.959481750e+00 3.90 -1.932010038e+00 -1.932010038e+00 3.92 -1.904982143e+00 -1.904982143e+00 3.94 -1.878390089e+00 -1.878390089e+00 3.96 -1.852225443e+00 -1.852225443e+00 3.98 -1.826479310e+00 -1.826479310e+00 4.00 -1.801142342e+00 -1.801142342e+00 4.02 -1.776204749e+00 -1.776204749e+00 4.04 -1.751656328e+00 -1.751656328e+00 4.06 -1.727486493e+00 -1.727486493e+00 4.08 -1.703684325e+00 -1.703684325e+00 4.10 -1.680238632e+00 -1.680238632e+00 4.12 -1.657138019e+00 -1.657138019e+00 4.14 -1.634370978e+00 -1.634370978e+00 4.16 -1.611925982e+00 -1.611925982e+00 4.18 -1.589791585e+00 -1.589791585e+00 4.20 -1.567956539e+00 -1.567956539e+00 4.22 -1.546409898e+00 -1.546409898e+00 4.24 -1.525141130e+00 -1.525141130e+00 4.26 -1.503075002e+00 -1.503075002e+00 4.28 -1.458275314e+00 -1.458275314e+00 4.30 -1.326638241e+00 -1.326638241e+00 4.32 -1.067706148e+00 -1.067706148e+00 4.34 -9.698508423e-01 -9.698508423e-01 4.36 -9.546472252e-01 -9.546472252e-01 4.38 -9.396766505e-01 -9.396766505e-01 4.40 -9.249327489e-01 -9.249327489e-01 4.42 -9.104099646e-01 -9.104099646e-01 4.44 -8.961035075e-01 -8.961035075e-01 4.46 -8.820092937e-01 -8.820092937e-01 4.48 -8.681238761e-01 -8.681238761e-01 4.50 -8.544443692e-01 -8.544443692e-01 4.52 -8.409683701e-01 -8.409683701e-01 4.54 -8.276938781e-01 -8.276938781e-01 4.56 -8.146192156e-01 -8.146192156e-01 4.58 -8.017429534e-01 -8.017429534e-01 4.60 -7.890638403e-01 -7.890638403e-01 4.62 -7.765807390e-01 -7.765807390e-01 4.64 -7.642925705e-01 -7.642925705e-01 4.66 -7.521982657e-01 -7.521982657e-01 4.68 -7.402967253e-01 -7.402967253e-01 4.70 -7.285867879e-01 -7.285867879e-01 4.72 -7.170672057e-01 -7.170672057e-01 4.74 -7.057366277e-01 -7.057366277e-01 4.76 -6.945935886e-01 -6.945935886e-01 4.78 -6.836365040e-01 -6.836365040e-01 4.80 -6.728636695e-01 -6.728636695e-01 4.82 -6.622732650e-01 -6.622732650e-01 4.84 -6.518633601e-01 -6.518633601e-01 4.86 -6.416319233e-01 -6.416319233e-01 4.88 -6.315768321e-01 -6.315768321e-01 4.90 -6.216958835e-01 -6.216958835e-01 4.92 -6.114114336e-01 -6.114114336e-01 4.94 -5.929762253e-01 -5.929762253e-01 4.96 -5.375219437e-01 -5.375219437e-01 4.98 -3.552227701e-01 -3.552227701e-01 5.00 -3.630410724e-22 -3.633263683e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00