{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" ] } "a" { "source-value" [ 13.0756 12.199487 11.656507 11.262004 10.951972 10.69654 10.479327 10.29037 10.123157 9.973196 9.837258 9.712942 9.598418 9.492254 9.393313 9.300674 9.213583 9.131411 9.053634 8.979804 8.90954 8.842514 8.778441 8.71707 8.655027 8.591091 8.525144 8.457054 8.386677 8.313856 8.238413 8.160152 8.078856 7.994279 7.906146 7.814143 7.717915 7.617057 7.511098 7.399497 7.281618 7.156712 7.023888 6.882075 6.729965 6.565948 6.387997 6.193525 5.979147 5.740319 5.470735 5.161287 4.798107 4.35853 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.30756e-09 1.2199487e-09 1.1656507e-09 1.1262004e-09 1.0951972e-09 1.0696540000000002e-09 1.0479327e-09 1.029037e-09 1.0123157000000002e-09 9.973196000000001e-10 9.837258e-10 9.712942e-10 9.598418e-10 9.492254e-10 9.393313e-10 9.300674000000001e-10 9.213583e-10 9.131411000000001e-10 9.053634000000001e-10 8.979804e-10 8.90954e-10 8.842514e-10 8.778441000000001e-10 8.71707e-10 8.655027000000001e-10 8.591091000000001e-10 8.525143999999999e-10 8.457054e-10 8.386677000000001e-10 8.313856e-10 8.238413e-10 8.160152000000001e-10 8.078856e-10 7.994279e-10 7.906146e-10 7.814143e-10 7.717915e-10 7.617057e-10 7.511097999999999e-10 7.399497e-10 7.281618000000001e-10 7.156712e-10 7.023888e-10 6.882075000000001e-10 6.729965e-10 6.565948e-10 6.387997e-10 6.193525e-10 5.979147e-10 5.740319e-10 5.470735e-10 5.161287e-10 4.798107e-10 4.35853e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.05047 1.57459 2.03522 2.45741 2.85203 3.2217 3.57043 3.89824 4.20615 4.4948 4.76482 5.01674 5.24987 5.46411 5.66011 5.83755 5.9954 6.13336 6.25105 6.3481 6.4241 6.47863 6.51221 6.52354 6.51075 6.46795 6.38724 6.25918 6.0705 5.80474 5.44068 4.95065 4.29826 3.43563 2.29765 0.796366 -1.18776 -3.8251 -7.35529 -12.1215 -18.6337 -27.6583 -40.3873 -58.7166 -85.776 -126.946 -191.922 -299.231 -486.79 -839.286 -1568.02 -3283.44 -8145.72 -26473.6 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.68303848871798e-19 2.5227713061300596e-19 3.2607819290494795e-19 3.9372048821579394e-19 4.56945582546702e-19 5.1617324617578e-19 5.720459519332619e-19 6.245669041724159e-19 6.7389952490991e-19 7.201463534503199e-19 7.63408326921588e-19 8.03770360685316e-19 8.411219045537578e-19 8.75446936760574e-19 9.06849598786974e-19 9.352786209806699e-19 9.6056897914836e-19 9.826726079910238e-19 1.00152862479657e-18 1.01707774902954e-18 1.02925429144794e-18 1.037990960633142e-18 1.043371069770114e-18 1.0451863358964358e-18 1.04313715198155e-18 1.0362798359880299e-18 1.023348668375016e-18 1.002831194400012e-18 9.726013256697e-19 9.300218794445159e-19 8.71693036907112e-19 7.9318157531121e-19 6.88657173885684e-19 5.50448610906942e-19 3.6812411431100995e-19 1.2759189973120439e-19 -1.9030013187998399e-19 -6.1284858427133995e-19 -1.178447377429386e-18 -1.9420784069031e-18 -2.98544787449658e-18 -4.43134819961622e-18 -6.47075883703482e-18 -9.40743645479244e-18 -1.3742830295798398e-17 -2.03389914979764e-17 -3.0749294395054796e-17 -4.7942091636845396e-17 -7.799235636648599e-17 -1.3446844184433237e-16 -2.51224500564468e-16 -5.26065084714096e-16 -1.305088225110648e-15 -4.24153833378624e-15 ] } }