# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = CSiTi2 # 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 2022-05-24 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 2.786725045e+03 2.786725045e+03 0.84 2.528074134e+03 2.528074134e+03 0.86 2.300219772e+03 2.300219772e+03 0.88 2.092813280e+03 2.092813280e+03 0.90 1.902815422e+03 1.902815422e+03 0.92 1.730035589e+03 1.730035589e+03 0.94 1.575286051e+03 1.575286051e+03 0.96 1.437668787e+03 1.437668787e+03 0.98 1.317133902e+03 1.317133902e+03 1.00 1.208823794e+03 1.208823794e+03 1.02 1.109884848e+03 1.109884848e+03 1.04 1.017801371e+03 1.017801371e+03 1.06 9.321796280e+02 9.321796280e+02 1.08 8.528527028e+02 8.528527028e+02 1.10 7.799449972e+02 7.799449972e+02 1.12 7.134646790e+02 7.134646790e+02 1.14 6.537367866e+02 6.537367866e+02 1.16 6.010636365e+02 6.010636365e+02 1.18 5.535589578e+02 5.535589578e+02 1.20 5.091254544e+02 5.091254544e+02 1.22 4.674825188e+02 4.674825188e+02 1.24 4.287325771e+02 4.287325771e+02 1.26 3.926576569e+02 3.926576569e+02 1.28 3.578309444e+02 3.578309444e+02 1.30 3.228032519e+02 3.228032519e+02 1.32 2.930497527e+02 2.930497527e+02 1.34 2.702337883e+02 2.702337883e+02 1.36 2.482538649e+02 2.482538649e+02 1.38 2.270169631e+02 2.270169631e+02 1.40 2.065982474e+02 2.065982474e+02 1.42 1.871368077e+02 1.871368077e+02 1.44 1.685989095e+02 1.685989095e+02 1.46 1.510943599e+02 1.510943599e+02 1.48 1.348427079e+02 1.348427079e+02 1.50 1.203213278e+02 1.203213278e+02 1.52 1.084248892e+02 1.084248892e+02 1.54 9.910749071e+01 9.910749071e+01 1.56 9.065518162e+01 9.065518162e+01 1.58 8.287837216e+01 8.287837216e+01 1.60 7.576364455e+01 7.576364455e+01 1.62 6.923594596e+01 6.923594596e+01 1.64 6.313520852e+01 6.313520852e+01 1.66 5.742471969e+01 5.742471969e+01 1.68 5.208359178e+01 5.208359178e+01 1.70 4.709908863e+01 4.709908863e+01 1.72 4.245931679e+01 4.245931679e+01 1.74 3.816238874e+01 3.816238874e+01 1.76 3.420770860e+01 3.420770860e+01 1.78 3.059489449e+01 3.059489449e+01 1.80 2.732228579e+01 2.732228579e+01 1.82 2.438510543e+01 2.438510543e+01 1.84 2.177358715e+01 2.177358715e+01 1.86 1.946957124e+01 1.946957124e+01 1.88 1.738305768e+01 1.738305768e+01 1.90 1.546495272e+01 1.546495272e+01 1.92 1.370300081e+01 1.370300081e+01 1.94 1.208548026e+01 1.208548026e+01 1.96 1.059760580e+01 1.059760580e+01 1.98 9.224654423e+00 9.224654423e+00 2.00 7.955340146e+00 7.955340146e+00 2.02 6.764148214e+00 6.764148214e+00 2.04 5.642595945e+00 5.642595945e+00 2.06 4.594142258e+00 4.594142258e+00 2.08 3.622315310e+00 3.622315310e+00 2.10 2.729544453e+00 2.729544453e+00 2.12 1.917190839e+00 1.917190839e+00 2.14 1.185719914e+00 1.185719914e+00 2.16 5.342989390e-01 5.342989390e-01 2.18 -4.125456043e-02 -4.125456043e-02 2.20 -5.579439222e-01 -5.579439222e-01 2.22 -1.023924663e+00 -1.023924663e+00 2.24 -1.443318884e+00 -1.443318884e+00 2.26 -1.820324083e+00 -1.820324083e+00 2.28 -2.159106252e+00 -2.159106252e+00 2.30 -2.463681128e+00 -2.463681128e+00 2.32 -2.737795560e+00 -2.737795560e+00 2.34 -2.984822875e+00 -2.984822875e+00 2.36 -3.210250518e+00 -3.210250518e+00 2.38 -3.423995145e+00 -3.423995145e+00 2.40 -3.626578510e+00 -3.626578510e+00 2.42 -3.818147191e+00 -3.818147191e+00 2.44 -3.999824832e+00 -3.999824832e+00 2.46 -4.172664663e+00 -4.172664663e+00 2.48 -4.337604309e+00 -4.337604309e+00 2.50 -4.495414113e+00 -4.495414113e+00 2.52 -4.646638915e+00 -4.646638915e+00 2.54 -4.791533963e+00 -4.791533963e+00 2.56 -4.929244145e+00 -4.929244145e+00 2.58 -5.054648778e+00 -5.054648778e+00 2.60 -5.161289697e+00 -5.161289697e+00 2.62 -5.242878913e+00 -5.242878913e+00 2.64 -5.293737504e+00 -5.293737504e+00 2.66 -5.309285620e+00 -5.309285620e+00 2.68 -5.286561152e+00 -5.286561152e+00 2.70 -5.224727006e+00 -5.224727006e+00 2.72 -5.125492155e+00 -5.125492155e+00 2.74 -4.993333517e+00 -4.993333517e+00 2.76 -4.835384616e+00 -4.835384616e+00 2.78 -4.660883318e+00 -4.660883318e+00 2.80 -4.483435482e+00 -4.483435482e+00 2.82 -4.314331489e+00 -4.314331489e+00 2.84 -4.158408091e+00 -4.158408091e+00 2.86 -4.017503834e+00 -4.017503834e+00 2.88 -3.892933274e+00 -3.892933274e+00 2.90 -3.786808274e+00 -3.786808274e+00 2.92 -3.700059701e+00 -3.700059701e+00 2.94 -3.619242867e+00 -3.619242867e+00 2.96 -3.534053789e+00 -3.534053789e+00 2.98 -3.439213209e+00 -3.439213209e+00 3.00 -3.330948869e+00 -3.330948869e+00 3.02 -3.210100765e+00 -3.210100765e+00 3.04 -3.077613046e+00 -3.077613046e+00 3.06 -2.934539338e+00 -2.934539338e+00 3.08 -2.782046012e+00 -2.782046012e+00 3.10 -2.621413223e+00 -2.621413223e+00 3.12 -2.454033493e+00 -2.454033493e+00 3.14 -2.281407631e+00 -2.281407631e+00 3.16 -2.105137682e+00 -2.105137682e+00 3.18 -1.926916565e+00 -1.926916565e+00 3.20 -1.748513991e+00 -1.748513991e+00 3.22 -1.571758201e+00 -1.571758201e+00 3.24 -1.398513082e+00 -1.398513082e+00 3.26 -1.230650306e+00 -1.230650306e+00 3.28 -1.070016308e+00 -1.070016308e+00 3.30 -9.183942810e-01 -9.183942810e-01 3.32 -7.774618191e-01 -7.774618191e-01 3.34 -6.487454573e-01 -6.487454573e-01 3.36 -5.335740469e-01 -5.335740469e-01 3.38 -4.310058866e-01 -4.310058866e-01 3.40 -3.381263446e-01 -3.381263446e-01 3.42 -2.556462593e-01 -2.556462593e-01 3.44 -1.842202261e-01 -1.842202261e-01 3.46 -1.243315393e-01 -1.243315393e-01 3.48 -7.626903820e-02 -7.626903820e-02 3.50 -4.010839312e-02 -4.010839312e-02 3.52 -1.570024838e-02 -1.570024838e-02 3.54 -2.667392956e-03 -2.667392956e-03 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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