{ "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" [ 0.905032 1.38678 1.74766 2.02855 2.25387 2.43957 2.59512 2.72623 2.83869 2.93814 3.02811 3.11 3.18418 3.25078 3.30994 3.36181 3.40657 3.44437 3.4754 3.49988 3.51815 3.5306 3.53771 3.53997 3.53891 3.53542 3.529 3.51899 3.5045 3.48438 3.45707 3.42042 3.37139 3.30553 3.21627 3.09366 2.92254 2.67882 2.32056 1.76358 0.816663 -1.01806 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4500211114758656e-19 2.221866494193024e-19 2.800059993107328e-19 3.2500953841238403e-19 3.611097820322496e-19 3.908622018805056e-19 4.157840592170496e-19 4.367901968923584e-19 4.548082751698752e-19 4.707419216637312e-19 4.851567047210688e-19 4.982769290688e-19 5.101618752418944e-19 5.208323715364224e-19 5.303108484250753e-19 5.386213385571649e-19 5.457926811118657e-19 5.518489087384896e-19 5.56820462792832e-19 5.607425911605505e-19 5.63669767846752e-19 5.6566447773964805e-19 5.668036253170369e-19 5.671657172333376e-19 5.669958865115328e-19 5.664367268708736e-19 5.6540812948032e-19 5.638043506828992e-19 5.614827967593601e-19 5.582592173983104e-19 5.538836730469056e-19 5.480116957316737e-19 5.401562237598912e-19 5.296042885353025e-19 5.153032600180416e-19 4.956589724704128e-19 4.682425261352832e-19 4.2919427753314563e-19 3.717946979163648e-19 2.825566644910464e-19 1.3084383656723906e-19 -1.631111930571648e-19 ] } }