# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2PdPt # 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 2026-08-31 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 3.782957058e+06 3.782957058e+06 0.88 3.450724548e+06 3.450724548e+06 0.90 3.147898797e+06 3.147898797e+06 0.92 2.871381119e+06 2.871381119e+06 0.94 2.618430425e+06 2.618430425e+06 0.96 2.386620993e+06 2.386620993e+06 0.98 2.173812729e+06 2.173812729e+06 1.00 1.978160671e+06 1.978160671e+06 1.02 1.798007641e+06 1.798007641e+06 1.04 1.631866028e+06 1.631866028e+06 1.06 1.478429979e+06 1.478429979e+06 1.08 1.336532208e+06 1.336532208e+06 1.10 1.205141154e+06 1.205141154e+06 1.12 1.083347329e+06 1.083347329e+06 1.14 9.703212504e+05 9.703212504e+05 1.16 8.652941501e+05 8.652941501e+05 1.18 7.675885901e+05 7.675885901e+05 1.20 6.766128587e+05 6.766128587e+05 1.22 5.918199319e+05 5.918199319e+05 1.24 5.126919350e+05 5.126919350e+05 1.26 4.387868636e+05 4.387868636e+05 1.28 3.698069491e+05 3.698069491e+05 1.30 3.078441728e+05 3.078441728e+05 1.32 2.530569695e+05 2.530569695e+05 1.34 2.046615160e+05 2.046615160e+05 1.36 1.627564950e+05 1.627564950e+05 1.38 1.294298629e+05 1.294298629e+05 1.40 1.030537818e+05 1.030537818e+05 1.42 8.214791738e+04 8.214791738e+04 1.44 6.555314301e+04 6.555314301e+04 1.46 5.235968743e+04 5.235968743e+04 1.48 4.185525230e+04 4.185525230e+04 1.50 3.348213988e+04 3.348213988e+04 1.52 2.680153953e+04 2.680153953e+04 1.54 2.146644775e+04 2.146644775e+04 1.56 1.720185504e+04 1.720185504e+04 1.58 1.379006354e+04 1.379006354e+04 1.60 1.105799535e+04 1.105799535e+04 1.62 8.868819975e+03 8.868819975e+03 1.64 7.113912182e+03 7.113912182e+03 1.66 5.706605585e+03 5.706605585e+03 1.68 4.577570465e+03 4.577570465e+03 1.70 3.671487559e+03 3.671487559e+03 1.72 2.944229009e+03 2.944229009e+03 1.74 2.360454209e+03 2.360454209e+03 1.76 1.891842808e+03 1.891842808e+03 1.78 1.515596605e+03 1.515596605e+03 1.80 1.213443426e+03 1.213443426e+03 1.82 9.707874558e+02 9.707874558e+02 1.84 7.759627737e+02 7.759627737e+02 1.86 6.196117157e+02 6.196117157e+02 1.88 4.942015762e+02 4.942015762e+02 1.90 3.936677411e+02 3.936677411e+02 1.92 3.131259380e+02 3.131259380e+02 1.94 2.486366889e+02 2.486366889e+02 1.96 1.970156280e+02 1.970156280e+02 1.98 1.557322577e+02 1.557322577e+02 2.00 1.227476848e+02 1.227476848e+02 2.02 9.642162367e+01 9.642162367e+01 2.04 7.543556009e+01 7.543556009e+01 2.06 5.872768004e+01 5.872768004e+01 2.08 4.544346658e+01 4.544346658e+01 2.10 3.489503194e+01 3.489503194e+01 2.12 2.653062173e+01 2.653062173e+01 2.14 1.990751821e+01 1.990751821e+01 2.16 1.466961920e+01 1.466961920e+01 2.18 1.053255643e+01 1.053255643e+01 2.20 7.270151358e+00 7.270151358e+00 2.22 4.701840008e+00 4.701840008e+00 2.24 2.683343163e+00 2.683343163e+00 2.26 1.099588348e+00 1.099588348e+00 2.28 -1.410196630e-01 -1.410196630e-01 2.30 -1.111232856e+00 -1.111232856e+00 2.32 -1.868704475e+00 -1.868704475e+00 2.34 -2.459005740e+00 -2.459005740e+00 2.36 -2.918065436e+00 -2.918065436e+00 2.38 -3.274139354e+00 -3.274139354e+00 2.40 -3.549385047e+00 -3.549385047e+00 2.42 -3.761128449e+00 -3.761128449e+00 2.44 -3.922877705e+00 -3.922877705e+00 2.46 -4.045134024e+00 -4.045134024e+00 2.48 -4.136038731e+00 -4.136038731e+00 2.50 -4.201882296e+00 -4.201882296e+00 2.52 -4.247485043e+00 -4.247485043e+00 2.54 -4.276582708e+00 -4.276582708e+00 2.56 -4.292064643e+00 -4.292064643e+00 2.58 -4.296166074e+00 -4.296166074e+00 2.60 -4.290622974e+00 -4.290622974e+00 2.62 -4.276707628e+00 -4.276707628e+00 2.64 -4.255385488e+00 -4.255385488e+00 2.66 -4.227502088e+00 -4.227502088e+00 2.68 -4.193745577e+00 -4.193745577e+00 2.70 -4.154673912e+00 -4.154673912e+00 2.72 -4.110755505e+00 -4.110755505e+00 2.74 -4.062406565e+00 -4.062406565e+00 2.76 -4.010009710e+00 -4.010009710e+00 2.78 -3.953917620e+00 -3.953917620e+00 2.80 -3.894461305e+00 -3.894461305e+00 2.82 -3.831913969e+00 -3.831913969e+00 2.84 -3.766532555e+00 -3.766532555e+00 2.86 -3.698583758e+00 -3.698583758e+00 2.88 -3.628350389e+00 -3.628350389e+00 2.90 -3.556108286e+00 -3.556108286e+00 2.92 -3.482125184e+00 -3.482125184e+00 2.94 -3.406660545e+00 -3.406660545e+00 2.96 -3.329965194e+00 -3.329965194e+00 2.98 -3.252280833e+00 -3.252280833e+00 3.00 -3.173839520e+00 -3.173839520e+00 3.02 -3.094863170e+00 -3.094863170e+00 3.04 -3.015563101e+00 -3.015563101e+00 3.06 -2.936124567e+00 -2.936124567e+00 3.08 -2.856651436e+00 -2.856651436e+00 3.10 -2.777305288e+00 -2.777305288e+00 3.12 -2.698249250e+00 -2.698249250e+00 3.14 -2.619635250e+00 -2.619635250e+00 3.16 -2.541604119e+00 -2.541604119e+00 3.18 -2.464285776e+00 -2.464285776e+00 3.20 -2.387799453e+00 -2.387799453e+00 3.22 -2.312253978e+00 -2.312253978e+00 3.24 -2.237748099e+00 -2.237748099e+00 3.26 -2.164370844e+00 -2.164370844e+00 3.28 -2.092201903e+00 -2.092201903e+00 3.30 -2.021290542e+00 -2.021290542e+00 3.32 -1.951664244e+00 -1.951664244e+00 3.34 -1.883348435e+00 -1.883348435e+00 3.36 -1.816383470e+00 -1.816383470e+00 3.38 -1.750811385e+00 -1.750811385e+00 3.40 -1.686667568e+00 -1.686667568e+00 3.42 -1.623981172e+00 -1.623981172e+00 3.44 -1.562775519e+00 -1.562775519e+00 3.46 -1.503068506e+00 -1.503068506e+00 3.48 -1.444872989e+00 -1.444872989e+00 3.50 -1.388197162e+00 -1.388197162e+00 3.52 -1.333044919e+00 -1.333044919e+00 3.54 -1.279416204e+00 -1.279416204e+00 3.56 -1.227307346e+00 -1.227307346e+00 3.58 -1.176711376e+00 -1.176711376e+00 3.60 -1.127618332e+00 -1.127618332e+00 3.62 -1.080015544e+00 -1.080015544e+00 3.64 -1.033887908e+00 -1.033887908e+00 3.66 -9.892181376e-01 -9.892181376e-01 3.68 -9.459870080e-01 -9.459870080e-01 3.70 -9.041735776e-01 -9.041735776e-01 3.72 -8.637553998e-01 -8.637553998e-01 3.74 -8.247087182e-01 -8.247087182e-01 3.76 -7.870086489e-01 -7.870086489e-01 3.78 -7.506293491e-01 -7.506293491e-01 3.80 -7.155441737e-01 -7.155441737e-01 3.82 -6.817258190e-01 -6.817258190e-01 3.84 -6.491464560e-01 -6.491464560e-01 3.86 -6.177778516e-01 -6.177778516e-01 3.88 -5.875914807e-01 -5.875914807e-01 3.90 -5.585586278e-01 -5.585586278e-01 3.92 -5.306504799e-01 -5.306504799e-01 3.94 -5.038382106e-01 -5.038382106e-01 3.96 -4.780930563e-01 -4.780930563e-01 3.98 -4.533863850e-01 -4.533863850e-01 4.00 -4.296897578e-01 -4.296897578e-01 4.02 -4.069749840e-01 -4.069749840e-01 4.04 -3.852141703e-01 -3.852141703e-01 4.06 -3.643797644e-01 -3.643797644e-01 4.08 -3.444445928e-01 -3.444445928e-01 4.10 -3.253818945e-01 -3.253818945e-01 4.12 -3.071653503e-01 -3.071653503e-01 4.14 -2.897691071e-01 -2.897691071e-01 4.16 -2.731677991e-01 -2.731677991e-01 4.18 -2.573365662e-01 -2.573365662e-01 4.20 -2.422510675e-01 -2.422510675e-01 4.22 -2.278874937e-01 -2.278874937e-01 4.24 -2.142225758e-01 -2.142225758e-01 4.26 -2.012335918e-01 -2.012335918e-01 4.28 -1.888983712e-01 -1.888983712e-01 4.30 -1.771952973e-01 -1.771952973e-01 4.32 -1.660995551e-01 -1.660995551e-01 4.34 -1.555488700e-01 -1.555488700e-01 4.36 -1.455132072e-01 -1.455132072e-01 4.38 -1.359750694e-01 -1.359750694e-01 4.40 -1.269174596e-01 -1.269174596e-01 4.42 -1.183238753e-01 -1.183238753e-01 4.44 -1.101783002e-01 -1.101783002e-01 4.46 -1.024651970e-01 -1.024651970e-01 4.48 -9.516949878e-02 -9.516949878e-02 4.50 -8.827660015e-02 -8.827660015e-02 4.52 -8.177234882e-02 -8.177234882e-02 4.54 -7.564303560e-02 -7.564303560e-02 4.56 -6.987538293e-02 -6.987538293e-02 4.58 -6.445653734e-02 -6.445653734e-02 4.60 -5.937405956e-02 -5.937405956e-02 4.62 -5.461591436e-02 -5.461591436e-02 4.64 -5.017021628e-02 -5.017021628e-02 4.66 -4.601229629e-02 -4.601229629e-02 4.68 -4.211350208e-02 -4.211350208e-02 4.70 -3.846243504e-02 -3.846243504e-02 4.72 -3.504486943e-02 -3.504486943e-02 4.74 -3.185235109e-02 -3.185235109e-02 4.76 -2.887693296e-02 -2.887693296e-02 4.78 -2.611090233e-02 -2.611090233e-02 4.80 -2.354678284e-02 -2.354678284e-02 4.82 -2.117733511e-02 -2.117733511e-02 4.84 -1.899555712e-02 -1.899555712e-02 4.86 -1.699468204e-02 -1.699468204e-02 4.88 -1.516817484e-02 -1.516817484e-02 4.90 -1.350972800e-02 -1.350972800e-02 4.92 -1.201323473e-02 -1.201323473e-02 4.94 -1.067254717e-02 -1.067254717e-02 4.96 -9.482071499e-03 -9.482071499e-03 4.98 -8.436502806e-03 -8.436502806e-03 5.00 -7.496549787e-03 -7.496549787e-03 5.02 -6.624643169e-03 -6.624643169e-03 5.04 -5.818226319e-03 -5.818226319e-03 5.06 -5.074818072e-03 -5.074818072e-03 5.08 -4.392014496e-03 -4.392014496e-03 5.10 -3.767490042e-03 -3.767490042e-03 5.12 -3.198997950e-03 -3.198997950e-03 5.14 -2.684370033e-03 -2.684370033e-03 5.16 -2.221515960e-03 -2.221515960e-03 5.18 -1.808422127e-03 -1.808422127e-03 5.20 -1.443150202e-03 -1.443150202e-03 5.22 -1.123835417e-03 -1.123835417e-03 5.24 -8.486846533e-04 -8.486846533e-04 5.26 -6.159743867e-04 -6.159743867e-04 5.28 -4.240485245e-04 -4.240485245e-04 5.30 -2.713161725e-04 -2.713161725e-04 5.32 -1.562493613e-04 -1.562493613e-04 5.34 -7.738075753e-05 -7.738075753e-05 5.36 -3.330124107e-05 -3.330124107e-05 5.38 -1.181078261e-05 -1.181078261e-05 5.40 -1.292998915e-06 -1.292998915e-06 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 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