{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.4225 5.059172 4.833997 4.670394 4.541823 4.435894 4.345815 4.267454 4.19811 4.13592 4.079546 4.027992 3.980499 3.936472 3.895441 3.857023 3.820906 3.786829 3.754574 3.723957 3.694818 3.667022 3.640451 3.615 3.597674 3.579439 3.560194 3.539821 3.51818 3.495103 3.470383 3.443771 3.414952 3.383526 3.348976 3.310609 3.267477 3.218227 3.16083 3.092048 3.006217 2.892 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.422500000000001e-10 5.059172000000001e-10 4.833997e-10 4.670394e-10 4.541823e-10 4.4358940000000003e-10 4.3458150000000003e-10 4.267454e-10 4.19811e-10 4.13592e-10 4.079546e-10 4.0279920000000005e-10 3.980499e-10 3.936472e-10 3.895441e-10 3.857023e-10 3.820906e-10 3.786829e-10 3.754574e-10 3.723957e-10 3.694818e-10 3.667022e-10 3.6404510000000004e-10 3.6150000000000004e-10 3.5976740000000004e-10 3.579439e-10 3.5601940000000004e-10 3.539821e-10 3.51818e-10 3.495103e-10 3.470383e-10 3.443771e-10 3.4149520000000003e-10 3.383526e-10 3.348976e-10 3.310609e-10 3.267477e-10 3.218227e-10 3.16083e-10 3.092048e-10 3.006217e-10 2.892e-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" [ 0.970907 1.39293 1.71672 1.98096 2.20339 2.39409 2.55947 2.70395 2.83073 2.94224 3.04037 3.12661 3.20221 3.26817 3.32536 3.37452 3.41626 3.45114 3.47964 3.50219 3.51917 3.53093 3.53778 3.54 3.53893 3.53542 3.52893 3.51877 3.50409 3.48374 3.45624 3.41959 3.3711 3.30697 3.22232 3.11484 2.97503 2.7854 2.5156 2.10975 1.45121 0.256309 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5555644963710656e-19 2.2317198804109443e-19 2.750488648459776e-19 3.1738477987399683e-19 3.5302199445045127e-19 3.8357550260910717e-19 4.1007229956389764e-19 4.33220547381216e-19 4.535329425797185e-19 4.713988140782592e-19 4.871209732581696e-19 5.009381444359489e-19 5.130505996891968e-19 5.236185566799936e-19 5.327814047743488e-19 5.406577050422016e-19 5.473451902574208e-19 5.529335823107712e-19 5.574997856800512e-19 5.611126939599553e-19 5.638331898620736e-19 5.657173495681345e-19 5.668148405533825e-19 5.671705237632001e-19 5.669990908647744e-19 5.664367268708736e-19 5.653969142439744e-19 5.637691027972416e-19 5.614171075179073e-19 5.581566780945793e-19 5.537506923873793e-19 5.478787150721472e-19 5.401097606378881e-19 5.298350019686976e-19 5.162725768736256e-19 4.990523825532672e-19 4.766523512178624e-19 4.4627027595763205e-19 4.0304355072844805e-19 3.3801921257328003e-19 2.325094733871168e-19 4.1065228750062727e-20 ] } }