{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 5.61106 5.235099 5.002093 4.832802 4.69976 4.590148 4.496937 4.415851 4.344096 4.279744 4.221409 4.168063 4.118918 4.07336 4.030902 3.991149 3.953776 3.918514 3.885138 3.853455 3.823304 3.794541 3.767046 3.74071 3.714086 3.686649 3.65835 3.62913 3.59893 3.567681 3.535306 3.501722 3.466836 3.430542 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.61106e-10 5.235099000000001e-10 5.002093000000001e-10 4.832802e-10 4.69976e-10 4.5901480000000003e-10 4.496937e-10 4.415851e-10 4.344096000000001e-10 4.2797440000000003e-10 4.221409000000001e-10 4.1680630000000004e-10 4.118918e-10 4.0733600000000003e-10 4.030902e-10 3.9911490000000004e-10 3.953776e-10 3.9185140000000003e-10 3.885138e-10 3.853455e-10 3.823304e-10 3.7945410000000003e-10 3.767046e-10 3.74071e-10 3.7140860000000003e-10 3.686649e-10 3.65835e-10 3.62913e-10 3.59893e-10 3.567681e-10 3.535306e-10 3.501722e-10 3.466836e-10 3.430542e-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" [ 3.11693 4.65731 6.02041 7.26783 8.42678 9.511 10.533 11.4947 12.3982 13.2474 14.0414 14.7803 15.4648 16.0952 16.6698 17.1879 17.6487 18.0525 18.397 18.681 18.9033 19.0636 19.1623 19.1956 19.1581 19.0327 18.7962 18.4193 17.8644 17.0836 16.0148 14.5794 12.6683 10.1399 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.99387241581362e-19 7.461833259294539e-19 9.645760229099939e-19 1.164434740588422e-18 1.3501190015858521e-18 1.5238301965973998e-18 1.6875726485921999e-18 1.84165397548398e-18 1.98641063436588e-18 2.12246747412516e-18 2.2496802988647597e-18 2.36806513035102e-18 2.47773412094832e-18 2.5787353359556795e-18 2.6707964053453198e-18 2.7538051767528595e-18 2.82763347604758e-18 2.8923293685284996e-18 2.9475243535697994e-18 2.9930261699754e-18 3.02864255654922e-18 3.05432544799224e-18 3.0701389313698194e-18 3.0754741795610395e-18 3.06946601718354e-18 3.0493747221931794e-18 3.0114832447990795e-18 2.95109720746362e-18 2.86219242604296e-18 2.7370944744602398e-18 2.56585383581832e-18 2.3358774017739596e-18 2.0296854252502198e-18 1.6245910851096601e-18 ] } }