# 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 = C2SiTi # 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 3.587662036e+03 3.587662036e+03 0.84 3.250162652e+03 3.250162652e+03 0.86 2.951762694e+03 2.951762694e+03 0.88 2.680777837e+03 2.680777837e+03 0.90 2.433852712e+03 2.433852712e+03 0.92 2.209083631e+03 2.209083631e+03 0.94 2.005931984e+03 2.005931984e+03 0.96 1.823756609e+03 1.823756609e+03 0.98 1.662802551e+03 1.662802551e+03 1.00 1.517647970e+03 1.517647970e+03 1.02 1.385218997e+03 1.385218997e+03 1.04 1.263058516e+03 1.263058516e+03 1.06 1.150961720e+03 1.150961720e+03 1.08 1.049158645e+03 1.049158645e+03 1.10 9.563776681e+02 9.563776681e+02 1.12 8.716754363e+02 8.716754363e+02 1.14 7.951144808e+02 7.951144808e+02 1.16 7.266928910e+02 7.266928910e+02 1.18 6.641883911e+02 6.641883911e+02 1.20 6.058151453e+02 6.058151453e+02 1.22 5.516496475e+02 5.516496475e+02 1.24 5.019733373e+02 5.019733373e+02 1.26 4.570579353e+02 4.570579353e+02 1.28 4.162671748e+02 4.162671748e+02 1.30 3.794480588e+02 3.794480588e+02 1.32 3.473392702e+02 3.473392702e+02 1.34 3.186223581e+02 3.186223581e+02 1.36 2.915782070e+02 2.915782070e+02 1.38 2.661181703e+02 2.661181703e+02 1.40 2.421694134e+02 2.421694134e+02 1.42 2.196568131e+02 2.196568131e+02 1.44 1.983350032e+02 1.983350032e+02 1.46 1.780730856e+02 1.780730856e+02 1.48 1.587607487e+02 1.587607487e+02 1.50 1.405852926e+02 1.405852926e+02 1.52 1.251305724e+02 1.251305724e+02 1.54 1.134592704e+02 1.134592704e+02 1.56 1.028488348e+02 1.028488348e+02 1.58 9.310088892e+01 9.310088892e+01 1.60 8.418377771e+01 8.418377771e+01 1.62 7.600062357e+01 7.600062357e+01 1.64 6.842870581e+01 6.842870581e+01 1.66 6.144713474e+01 6.144713474e+01 1.68 5.502085369e+01 5.502085369e+01 1.70 4.900613448e+01 4.900613448e+01 1.72 4.328445923e+01 4.328445923e+01 1.74 3.778154956e+01 3.778154956e+01 1.76 3.241131733e+01 3.241131733e+01 1.78 2.708619108e+01 2.708619108e+01 1.80 2.173554231e+01 2.173554231e+01 1.82 1.645650828e+01 1.645650828e+01 1.84 1.175311463e+01 1.175311463e+01 1.86 8.635127501e+00 8.635127501e+00 1.88 6.932492459e+00 6.932492459e+00 1.90 5.413592593e+00 5.413592593e+00 1.92 4.052378823e+00 4.052378823e+00 1.94 2.834597188e+00 2.834597188e+00 1.96 1.747227613e+00 1.747227613e+00 1.98 7.783786917e-01 7.783786917e-01 2.00 -8.978681003e-02 -8.978681003e-02 2.02 -9.063838075e-01 -9.063838075e-01 2.04 -1.675931798e+00 -1.675931798e+00 2.06 -2.393433014e+00 -2.393433014e+00 2.08 -3.052617585e+00 -3.052617585e+00 2.10 -3.644767023e+00 -3.644767023e+00 2.12 -4.157424825e+00 -4.157424825e+00 2.14 -4.574838958e+00 -4.574838958e+00 2.16 -4.882568644e+00 -4.882568644e+00 2.18 -5.079241521e+00 -5.079241521e+00 2.20 -5.219745867e+00 -5.219745867e+00 2.22 -5.325785499e+00 -5.325785499e+00 2.24 -5.401893612e+00 -5.401893612e+00 2.26 -5.452400142e+00 -5.452400142e+00 2.28 -5.481370764e+00 -5.481370764e+00 2.30 -5.492536135e+00 -5.492536135e+00 2.32 -5.489220181e+00 -5.489220181e+00 2.34 -5.474278073e+00 -5.474278073e+00 2.36 -5.450054792e+00 -5.450054792e+00 2.38 -5.418355917e+00 -5.418355917e+00 2.40 -5.377708348e+00 -5.377708348e+00 2.42 -5.327355281e+00 -5.327355281e+00 2.44 -5.268545134e+00 -5.268545134e+00 2.46 -5.202406239e+00 -5.202406239e+00 2.48 -5.129957518e+00 -5.129957518e+00 2.50 -5.052118226e+00 -5.052118226e+00 2.52 -4.969716859e+00 -4.969716859e+00 2.54 -4.883499288e+00 -4.883499288e+00 2.56 -4.794611384e+00 -4.794611384e+00 2.58 -4.701941340e+00 -4.701941340e+00 2.60 -4.601289806e+00 -4.601289806e+00 2.62 -4.490047488e+00 -4.490047488e+00 2.64 -4.365857166e+00 -4.365857166e+00 2.66 -4.226819509e+00 -4.226819509e+00 2.68 -4.071693517e+00 -4.071693517e+00 2.70 -3.900062072e+00 -3.900062072e+00 2.72 -3.711411291e+00 -3.711411291e+00 2.74 -3.501547426e+00 -3.501547426e+00 2.76 -3.271570568e+00 -3.271570568e+00 2.78 -3.024587292e+00 -3.024587292e+00 2.80 -2.764948170e+00 -2.764948170e+00 2.82 -2.498129853e+00 -2.498129853e+00 2.84 -2.230520897e+00 -2.230520897e+00 2.86 -1.969115864e+00 -1.969115864e+00 2.88 -1.721130249e+00 -1.721130249e+00 2.90 -1.493559200e+00 -1.493559200e+00 2.92 -1.292668325e+00 -1.292668325e+00 2.94 -1.110326352e+00 -1.110326352e+00 2.96 -9.386789721e-01 -9.386789721e-01 2.98 -7.794183873e-01 -7.794183873e-01 3.00 -6.341251213e-01 -6.341251213e-01 3.02 -5.042479158e-01 -5.042479158e-01 3.04 -3.910784678e-01 -3.910784678e-01 3.06 -2.957161301e-01 -2.957161301e-01 3.08 -2.189745783e-01 -2.189745783e-01 3.10 -1.560496969e-01 -1.560496969e-01 3.12 -1.036391049e-01 -1.036391049e-01 3.14 -6.205610250e-02 -6.205610250e-02 3.16 -3.137164817e-02 -3.137164817e-02 3.18 -1.135894091e-02 -1.135894091e-02 3.20 -1.455224654e-03 -1.455224654e-03 3.22 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 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