{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.07059 5.663838 5.411749 5.228594 5.084655 4.966066 4.865221 4.777494 4.699862 4.63024 4.567128 4.509412 4.456242 4.406954 4.361019 4.318009 4.277575 4.239426 4.203316 4.169039 4.136418 4.1053 4.075552 4.04706 4.027663 4.007249 3.985704 3.962896 3.938669 3.912833 3.885159 3.855367 3.823103 3.787922 3.749241 3.706289 3.658002 3.602866 3.538609 3.461607 3.365518 3.23765 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.070590000000001e-10 5.663838e-10 5.411749e-10 5.228594e-10 5.084655e-10 4.966066e-10 4.865221e-10 4.777494e-10 4.699862000000001e-10 4.63024e-10 4.5671280000000003e-10 4.509412e-10 4.4562419999999995e-10 4.406954e-10 4.361019e-10 4.3180090000000003e-10 4.277575e-10 4.239426e-10 4.2033160000000003e-10 4.169039e-10 4.136418e-10 4.1053e-10 4.075552e-10 4.04706e-10 4.0276630000000006e-10 4.007249e-10 3.985704e-10 3.962896e-10 3.938669e-10 3.9128330000000004e-10 3.885159e-10 3.8553670000000003e-10 3.8231030000000004e-10 3.787922e-10 3.749241e-10 3.706289e-10 3.6580020000000003e-10 3.602866e-10 3.5386090000000003e-10 3.461607e-10 3.365518e-10 3.23765e-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" [ 1.28916 1.64625 1.90509 2.11389 2.28927 2.43931 2.56889 2.68148 2.77975 2.86581 2.94146 3.00815 3.06683 3.11823 3.16298 3.20162 3.2346 3.2623 3.28506 3.30317 3.31688 3.32644 3.33203 3.33386 3.33298 3.33006 3.32464 3.31614 3.30379 3.2866 3.26323 3.23189 3.19012 3.13444 3.05981 2.9587 2.81945 2.62307 2.33652 1.89735 1.17132 -0.187821 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0654620124705281e-19 2.637583261992e-19 3.052290658519872e-19 3.386825136942912e-19 3.6678148726988163e-19 3.908205452883648e-19 4.1158154994069126e-19 4.2962045651427845e-19 4.4536504616688e-19 4.591533781654848e-19 4.712738443018369e-19 4.81958760185952e-19 4.913603325968064e-19 4.995955204277184e-19 5.067652608057985e-19 5.129560712685697e-19 5.18240049763968e-19 5.226780790035841e-19 5.263246329925249e-19 5.292261748527937e-19 5.314227589999104e-19 5.329544398493952e-19 5.338500565804225e-19 5.341432549020288e-19 5.340022633593984e-19 5.335344277861249e-19 5.326660480576512e-19 5.313041979299713e-19 5.293255098032832e-19 5.26571368192128e-19 5.228270814293184e-19 5.178058598997312e-19 5.111135681546496e-19 5.021926487300352e-19 4.902356046090049e-19 4.74035996796096e-19 4.51725687351456e-19 4.202621428721856e-19 3.7435177180316167e-19 3.03988981147488e-19 1.876661519475456e-19 -3.009224150952768e-20 ] } }