{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 5.28101 4.927162 4.707861 4.548528 4.423311 4.320146 4.232417 4.156101 4.088566 4.027999 3.973096 3.922887 3.876632 3.833754 3.793794 3.756378 3.721204 3.688016 3.656603 3.626784 3.598406 3.571335 3.545457 3.52067 3.503796 3.486037 3.467294 3.447454 3.426377 3.403902 3.379828 3.35391 3.325843 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.281010000000001e-10 4.927162000000001e-10 4.707861000000001e-10 4.5485280000000005e-10 4.423311e-10 4.3201460000000006e-10 4.232417e-10 4.1561009999999995e-10 4.088566e-10 4.0279990000000007e-10 3.973096e-10 3.922887e-10 3.876632e-10 3.833754e-10 3.793794e-10 3.7563780000000003e-10 3.7212040000000003e-10 3.6880160000000005e-10 3.656603e-10 3.626784e-10 3.5984060000000006e-10 3.571335e-10 3.545457e-10 3.5206700000000003e-10 3.503796e-10 3.486037e-10 3.467294e-10 3.447454e-10 3.426377e-10 3.403902e-10 3.379828e-10 3.3539100000000003e-10 3.325843e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.41894 2.12018 2.74072 3.30859 3.83619 4.32978 4.79503 5.23285 5.64415 6.03072 6.39218 6.72858 7.04018 7.32719 7.58877 7.82462 8.03439 8.21824 8.37505 8.50432 8.60551 8.67848 8.72344 8.73857 8.73096 8.70533 8.65654 8.5778 8.45997 8.29067 8.05269 7.72176 7.26302 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2733924943179524e-19 3.396902827887744e-19 4.391117508158977e-19 5.300945545812672e-19 6.146253930946753e-19 6.937072289207425e-19 7.682484962034623e-19 8.38394993015328e-19 9.04292517428832e-19 9.662278590590977e-19 1.0241401351945345e-18 1.0780373567182464e-18 1.1279611802223746e-18 1.1739452514159553e-18 1.2158549874628417e-18 1.2536423230644097e-18 1.2872511820389314e-18 1.3167071992123391e-18 1.341830930803104e-18 1.3625422679801856e-18 1.378754693206061e-18 1.3904457760080385e-18 1.3976491620951553e-18 1.4000732553224256e-18 1.3988539989139968e-18 1.3947476202348865e-18 1.3869306005020032e-18 1.374315061789824e-18 1.3554366146669376e-18 1.3283117644767937e-18 1.2901831652549952e-18 1.2371623343428608e-18 1.1636640840402816e-18 ] } }