# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Ti-Al # implementation = 2025--Sharifi-H--Co-Ti-Al--LAMMPS--ipr1 # composition = AlCo2Ti # 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 2.351899279e+02 2.351899279e+02 1.00 2.141066010e+02 2.141066010e+02 1.02 1.959923513e+02 1.959923513e+02 1.04 1.805139181e+02 1.805139181e+02 1.06 1.671667721e+02 1.671667721e+02 1.08 1.555379565e+02 1.555379565e+02 1.10 1.452918926e+02 1.452918926e+02 1.12 1.361578759e+02 1.361578759e+02 1.14 1.279192169e+02 1.279192169e+02 1.16 1.204038667e+02 1.204038667e+02 1.18 1.134764078e+02 1.134764078e+02 1.20 1.070312460e+02 1.070312460e+02 1.22 1.009868632e+02 1.009868632e+02 1.24 9.528100595e+01 9.528100595e+01 1.26 8.986667959e+01 8.986667959e+01 1.28 8.470883781e+01 8.470883781e+01 1.30 7.978167096e+01 7.978167096e+01 1.32 7.506639875e+01 7.506639875e+01 1.34 7.054949243e+01 7.054949243e+01 1.36 6.622125618e+01 6.622125618e+01 1.38 6.207470745e+01 6.207470745e+01 1.40 5.810470581e+01 5.810470581e+01 1.42 5.430728499e+01 5.430728499e+01 1.44 5.067915103e+01 5.067915103e+01 1.46 4.721730772e+01 4.721730772e+01 1.48 4.391879630e+01 4.391879630e+01 1.50 4.078052923e+01 4.078052923e+01 1.52 3.779918003e+01 3.779918003e+01 1.54 3.497112319e+01 3.497112319e+01 1.56 3.229241211e+01 3.229241211e+01 1.58 2.975878456e+01 2.975878456e+01 1.60 2.736568815e+01 2.736568815e+01 1.62 2.510831853e+01 2.510831853e+01 1.64 2.298166552e+01 2.298166552e+01 1.66 2.098056333e+01 2.098056333e+01 1.68 1.909974164e+01 1.909974164e+01 1.70 1.733387550e+01 1.733387550e+01 1.72 1.567763252e+01 1.567763252e+01 1.74 1.412571604e+01 1.412571604e+01 1.76 1.267290344e+01 1.267290344e+01 1.78 1.131406599e+01 1.131406599e+01 1.80 1.004417401e+01 1.004417401e+01 1.82 8.858324321e+00 8.858324321e+00 1.84 7.751768083e+00 7.751768083e+00 1.86 6.719932968e+00 6.719932968e+00 1.88 5.758440126e+00 5.758440126e+00 1.90 4.863116577e+00 4.863116577e+00 1.92 4.030003516e+00 4.030003516e+00 1.94 3.255361046e+00 3.255361046e+00 1.96 2.535669887e+00 2.535669887e+00 1.98 1.867629751e+00 1.867629751e+00 2.00 1.248146334e+00 1.248146334e+00 2.02 6.743103926e-01 6.743103926e-01 2.04 1.433878560e-01 1.433878560e-01 2.06 -3.471394417e-01 -3.471394417e-01 2.08 -7.996266089e-01 -7.996266089e-01 2.10 -1.216307944e+00 -1.216307944e+00 2.12 -1.599302657e+00 -1.599302657e+00 2.14 -1.950620117e+00 -1.950620117e+00 2.16 -2.272164922e+00 -2.272164922e+00 2.18 -2.565741672e+00 -2.565741672e+00 2.20 -2.833059080e+00 -2.833059080e+00 2.22 -3.075734964e+00 -3.075734964e+00 2.24 -3.295300933e+00 -3.295300933e+00 2.26 -3.493206509e+00 -3.493206509e+00 2.28 -3.670823075e+00 -3.670823075e+00 2.30 -3.829447647e+00 -3.829447647e+00 2.32 -3.970306508e+00 -3.970306508e+00 2.34 -4.094558673e+00 -4.094558673e+00 2.36 -4.203299207e+00 -4.203299207e+00 2.38 -4.297562410e+00 -4.297562410e+00 2.40 -4.378324844e+00 -4.378324844e+00 2.42 -4.446508238e+00 -4.446508238e+00 2.44 -4.502982266e+00 -4.502982266e+00 2.46 -4.548567182e+00 -4.548567182e+00 2.48 -4.584036362e+00 -4.584036362e+00 2.50 -4.610144056e+00 -4.610144056e+00 2.52 -4.627732548e+00 -4.627732548e+00 2.54 -4.637619073e+00 -4.637619073e+00 2.56 -4.640548634e+00 -4.640548634e+00 2.58 -4.637202899e+00 -4.637202899e+00 2.60 -4.628224233e+00 -4.628224233e+00 2.62 -4.614206052e+00 -4.614206052e+00 2.64 -4.595686426e+00 -4.595686426e+00 2.66 -4.573152916e+00 -4.573152916e+00 2.68 -4.547047064e+00 -4.547047064e+00 2.70 -4.517768516e+00 -4.517768516e+00 2.72 -4.485678786e+00 -4.485678786e+00 2.74 -4.451104698e+00 -4.451104698e+00 2.76 -4.414341541e+00 -4.414341541e+00 2.78 -4.375655941e+00 -4.375655941e+00 2.80 -4.335288496e+00 -4.335288496e+00 2.82 -4.293456180e+00 -4.293456180e+00 2.84 -4.250354528e+00 -4.250354528e+00 2.86 -4.206159644e+00 -4.206159644e+00 2.88 -4.161030029e+00 -4.161030029e+00 2.90 -4.115108236e+00 -4.115108236e+00 2.92 -4.068522397e+00 -4.068522397e+00 2.94 -4.021387599e+00 -4.021387599e+00 2.96 -3.973807144e+00 -3.973807144e+00 2.98 -3.925873697e+00 -3.925873697e+00 3.00 -3.877670320e+00 -3.877670320e+00 3.02 -3.829264670e+00 -3.829264670e+00 3.04 -3.780639065e+00 -3.780639065e+00 3.06 -3.731820920e+00 -3.731820920e+00 3.08 -3.683208145e+00 -3.683208145e+00 3.10 -3.634631645e+00 -3.634631645e+00 3.12 -3.586129484e+00 -3.586129484e+00 3.14 -3.537739628e+00 -3.537739628e+00 3.16 -3.489495957e+00 -3.489495957e+00 3.18 -3.441428695e+00 -3.441428695e+00 3.20 -3.393564793e+00 -3.393564793e+00 3.22 -3.345928281e+00 -3.345928281e+00 3.24 -3.298540581e+00 -3.298540581e+00 3.26 -3.251420787e+00 -3.251420787e+00 3.28 -3.204585923e+00 -3.204585923e+00 3.30 -3.158051165e+00 -3.158051165e+00 3.32 -3.111830051e+00 -3.111830051e+00 3.34 -3.065934657e+00 -3.065934657e+00 3.36 -3.020375766e+00 -3.020375766e+00 3.38 -2.975163010e+00 -2.975163010e+00 3.40 -2.930305001e+00 -2.930305001e+00 3.42 -2.885809445e+00 -2.885809445e+00 3.44 -2.841683246e+00 -2.841683246e+00 3.46 -2.797932594e+00 -2.797932594e+00 3.48 -2.754563048e+00 -2.754563048e+00 3.50 -2.711579605e+00 -2.711579605e+00 3.52 -2.668986761e+00 -2.668986761e+00 3.54 -2.626788565e+00 -2.626788565e+00 3.56 -2.584988670e+00 -2.584988670e+00 3.58 -2.543590367e+00 -2.543590367e+00 3.60 -2.502596629e+00 -2.502596629e+00 3.62 -2.462010133e+00 -2.462010133e+00 3.64 -2.421833293e+00 -2.421833293e+00 3.66 -2.382068279e+00 -2.382068279e+00 3.68 -2.342717036e+00 -2.342717036e+00 3.70 -2.303781301e+00 -2.303781301e+00 3.72 -2.265262615e+00 -2.265262615e+00 3.74 -2.227162336e+00 -2.227162336e+00 3.76 -2.189481646e+00 -2.189481646e+00 3.78 -2.152221564e+00 -2.152221564e+00 3.80 -2.115382945e+00 -2.115382945e+00 3.82 -2.078966494e+00 -2.078966494e+00 3.84 -2.042972764e+00 -2.042972764e+00 3.86 -2.007402168e+00 -2.007402168e+00 3.88 -1.972254977e+00 -1.972254977e+00 3.90 -1.937531326e+00 -1.937531326e+00 3.92 -1.903231220e+00 -1.903231220e+00 3.94 -1.869354535e+00 -1.869354535e+00 3.96 -1.835901021e+00 -1.835901021e+00 3.98 -1.802870308e+00 -1.802870308e+00 4.00 -1.770261906e+00 -1.770261906e+00 4.02 -1.738075209e+00 -1.738075209e+00 4.04 -1.706309497e+00 -1.706309497e+00 4.06 -1.674963938e+00 -1.674963938e+00 4.08 -1.644037591e+00 -1.644037591e+00 4.10 -1.613529404e+00 -1.613529404e+00 4.12 -1.583438219e+00 -1.583438219e+00 4.14 -1.553762771e+00 -1.553762771e+00 4.16 -1.524501688e+00 -1.524501688e+00 4.18 -1.495653494e+00 -1.495653494e+00 4.20 -1.467216607e+00 -1.467216607e+00 4.22 -1.439189340e+00 -1.439189340e+00 4.24 -1.411569902e+00 -1.411569902e+00 4.26 -1.384392398e+00 -1.384392398e+00 4.28 -1.358372886e+00 -1.358372886e+00 4.30 -1.335373768e+00 -1.335373768e+00 4.32 -1.315590667e+00 -1.315590667e+00 4.34 -1.291447848e+00 -1.291447848e+00 4.36 -1.265834028e+00 -1.265834028e+00 4.38 -1.240611655e+00 -1.240611655e+00 4.40 -1.215778464e+00 -1.215778464e+00 4.42 -1.191332090e+00 -1.191332090e+00 4.44 -1.167270064e+00 -1.167270064e+00 4.46 -1.143589822e+00 -1.143589822e+00 4.48 -1.120288705e+00 -1.120288705e+00 4.50 -1.097363964e+00 -1.097363964e+00 4.52 -1.074812759e+00 -1.074812759e+00 4.54 -1.052632170e+00 -1.052632170e+00 4.56 -1.030819194e+00 -1.030819194e+00 4.58 -1.009370751e+00 -1.009370751e+00 4.60 -9.882836870e-01 -9.882836870e-01 4.62 -9.675547777e-01 -9.675547777e-01 4.64 -9.471807317e-01 -9.471807317e-01 4.66 -9.271581943e-01 -9.271581943e-01 4.68 -9.074837507e-01 -9.074837507e-01 4.70 -8.881539297e-01 -8.881539297e-01 4.72 -8.691652066e-01 -8.691652066e-01 4.74 -8.505140075e-01 -8.505140075e-01 4.76 -8.321967118e-01 -8.321967118e-01 4.78 -8.142096561e-01 -8.142096561e-01 4.80 -7.965491373e-01 -7.965491373e-01 4.82 -7.792114157e-01 -7.792114157e-01 4.84 -7.621927186e-01 -7.621927186e-01 4.86 -7.454892432e-01 -7.454892432e-01 4.88 -7.290971595e-01 -7.290971595e-01 4.90 -7.130126138e-01 -7.130126138e-01 4.92 -6.958722458e-01 -6.958722458e-01 4.94 -6.604712425e-01 -6.604712425e-01 4.96 -5.602713804e-01 -5.602713804e-01 4.98 -3.220068061e-01 -3.220068061e-01 5.00 -3.880594471e-22 -3.939075253e-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