{ "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" [ 0.641777 1.13904 1.48157 1.7615 2.00412 2.22017 2.41283 2.5759 2.7167 2.84235 2.95505 3.05497 3.14267 3.21889 3.28444 3.34014 3.38676 3.42503 3.45568 3.47946 3.49702 3.50897 3.51581 3.518 3.5168 3.51228 3.50271 3.48588 3.46004 3.42477 3.37988 3.32545 3.26205 3.19076 3.1103 3.01672 2.90374 2.76109 2.57087 2.29806 1.84583 1.07772 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0282401051671617e-19 1.8249432581560322e-19 2.373736816078656e-19 2.8222341175392e-19 3.210954209277696e-19 3.557104468201536e-19 3.8657798159648645e-19 4.12704675751872e-19 4.35263322572736e-19 4.553946718130881e-19 4.734512023295041e-19 4.894601511245376e-19 5.035112400889536e-19 5.157230302926912e-19 5.2622529804203525e-19 5.351494218198912e-19 5.426187692260609e-19 5.487502991538625e-19 5.536609704966144e-19 5.574709465008768e-19 5.602843686470017e-19 5.621989697088577e-19 5.632948585174849e-19 5.6364573519744e-19 5.63453474002944e-19 5.627292901703424e-19 5.611960071442368e-19 5.584995438914304e-19 5.543595195032832e-19 5.487086425617217e-19 5.415164717109505e-19 5.327958243639361e-19 5.226380245880641e-19 5.112161074583808e-19 4.98324994367424e-19 4.833318255499776e-19 4.652304340881792e-19 4.423753845924672e-19 4.1189878091160965e-19 3.681898005195648e-19 2.9573456719712644e-19 1.726697787768576e-19 ] } }