{ "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" [ 5.42241 5.059088 4.833916 4.670317 4.541747 4.435821 4.345743 4.267383 4.19804 4.135852 4.079479 4.027925 3.980432 3.936407 3.895376 3.856959 3.820842 3.786766 3.754512 3.723895 3.694757 3.666961 3.64039 3.61494 3.597614 3.579379 3.560135 3.539763 3.518122 3.495044 3.470325 3.443713 3.414895 3.38347 3.348919 3.310553 3.267422 3.218172 3.160776 3.091995 3.006166 2.89195 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42241e-10 5.059088e-10 4.833916e-10 4.670317e-10 4.541747e-10 4.435821e-10 4.345743e-10 4.267383e-10 4.1980399999999997e-10 4.135852e-10 4.0794790000000003e-10 4.027925e-10 3.980432e-10 3.936407e-10 3.8953760000000004e-10 3.856959e-10 3.820842e-10 3.7867660000000003e-10 3.754512e-10 3.7238950000000004e-10 3.694757e-10 3.6669610000000003e-10 3.64039e-10 3.61494e-10 3.5976140000000004e-10 3.579379e-10 3.5601349999999997e-10 3.539763e-10 3.5181220000000003e-10 3.4950440000000004e-10 3.470325e-10 3.4437129999999997e-10 3.414895e-10 3.38347e-10 3.348919e-10 3.3105530000000004e-10 3.267422e-10 3.218172e-10 3.1607759999999997e-10 3.0919949999999997e-10 3.006166e-10 2.89195e-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" [ 0.905247 1.35251 1.69473 1.96488 2.19369 2.39611 2.57386 2.72756 2.85973 2.97338 3.07112 3.15511 3.22714 3.28876 3.34134 3.38607 3.42396 3.4558 3.48217 3.50338 3.51962 3.53104 3.53779 3.53999 3.53893 3.53543 3.52904 3.51921 3.50537 3.4862 3.45951 3.42309 3.37407 3.30855 3.22119 3.10434 2.94664 2.72999 2.42261 1.96176 1.21006 -0.175617 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4503655794493377e-19 2.1669599013982082e-19 2.7152567845683845e-19 3.148084798677504e-19 3.5146788312827524e-19 3.8389914228650886e-19 4.123778317212288e-19 4.370032863829248e-19 4.581792547800384e-19 4.763879920754305e-19 4.920476663671296e-19 5.055043478052288e-19 5.170448260048512e-19 5.269174383422208e-19 5.353416830143873e-19 5.4250821903922565e-19 5.485788662554368e-19 5.53680196616064e-19 5.579051363651136e-19 5.613033529778304e-19 5.639052878100097e-19 5.657349735109633e-19 5.668164427300033e-19 5.671689215865793e-19 5.669990908647744e-19 5.664383290474944e-19 5.654145381868033e-19 5.638395985685568e-19 5.616221861253696e-19 5.585508135432961e-19 5.542746041423808e-19 5.484394768894273e-19 5.405856070942656e-19 5.30088145874784e-19 5.160915309154752e-19 4.973700971014273e-19 4.721037717914112e-19 4.373926153017792e-19 3.8814491033162883e-19 3.1430860076206082e-19 1.9387298417652479e-19 -2.813694516150336e-20 ] } }