{ "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" [ "Th" "Th" "Th" "Th" ] } "a" { "source-value" [ 8.49911 7.929638 7.576701 7.320274 7.118754 6.952724 6.811535 6.688713 6.580025 6.482551 6.394191 6.313386 6.238945 6.169939 6.105627 6.045412 5.988803 5.935391 5.884836 5.836847 5.791176 5.747609 5.705961 5.66607 5.638913 5.610332 5.580169 5.548237 5.514318 5.478146 5.439402 5.397691 5.35252 5.303265 5.249111 5.188976 5.121372 5.044178 4.954217 4.84641 4.711881 4.53286 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.49911e-10 7.929638e-10 7.576701000000001e-10 7.320274000000001e-10 7.118754e-10 6.952724000000001e-10 6.811535e-10 6.688713e-10 6.580025000000001e-10 6.482551e-10 6.394191000000001e-10 6.313386000000001e-10 6.238945e-10 6.169939000000001e-10 6.105627e-10 6.045412e-10 5.988803e-10 5.935391e-10 5.884836e-10 5.836846999999999e-10 5.791176e-10 5.747609e-10 5.705961000000001e-10 5.66607e-10 5.638913e-10 5.610332e-10 5.580168999999999e-10 5.548237000000001e-10 5.514318000000001e-10 5.478146e-10 5.439402e-10 5.397691e-10 5.35252e-10 5.303265e-10 5.249111e-10 5.188976e-10 5.121372e-10 5.044178e-10 4.954217e-10 4.84641e-10 4.711881e-10 4.5328600000000006e-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" [ 3.12677 4.67202 6.03942 7.29079 8.4534 9.54105 10.5663 11.5311 12.4374 13.2892 14.0857 14.827 15.5136 16.1461 16.7225 17.2422 17.7045 18.1096 18.4551 18.74 18.9629 19.1237 19.2228 19.2561 19.2393 19.1828 19.0753 18.9018 18.6422 18.269 17.7446 17.0154 16.0045 14.5991 12.6208 9.78854 5.63261 -0.684307 -10.7635 -28.033 -60.9636 -135.952 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.009637792618817e-19 7.485401215910016e-19 9.676217527191937e-19 1.1681133285162433e-18 1.3543839846270721e-18 1.5286447247883841e-18 1.6929078828359041e-18 1.8474858832106882e-18 1.992691150353792e-18 2.129164554913536e-18 2.256777922760256e-18 2.3755472756601602e-18 2.4855527224442882e-18 2.5868903937098882e-18 2.6792398541328e-18 2.7625049731157764e-18 2.83657359829536e-18 2.9014777732039684e-18 2.9568329754526085e-18 3.0024789873792e-18 3.0381915042568325e-18 3.063954504319296e-18 3.079832074631424e-18 3.0851673227786883e-18 3.082475666055744e-18 3.0734233681482243e-18 3.056199969474624e-18 3.0284022051037442e-18 2.986809700027776e-18 2.92701646853952e-18 2.842998326544768e-18 2.726167607356032e-18 2.5642035727593603e-18 2.339033670472128e-18 2.022075069579264e-18 1.5682969939765633e-18 9.024436056084288e-19 -1.0963806768497856e-19 -1.7245028057980802e-18 -4.4913817210886406e-18 -9.767445463980289e-18 -2.178191159510016e-17 ] } }