{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.21679 8.599232 8.216494 7.938414 7.719877 7.539828 7.386718 7.253525 7.135659 7.029954 6.934133 6.846505 6.765778 6.690945 6.621203 6.555904 6.494514 6.436593 6.381769 6.329727 6.280199 6.232954 6.187789 6.14453 6.11508 6.084085 6.051374 6.016746 5.979962 5.940736 5.89872 5.853486 5.804501 5.751086 5.692358 5.627145 5.553832 5.470119 5.37256 5.255649 5.10976 4.91562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.21679e-10 8.599232000000001e-10 8.216494000000001e-10 7.938414000000001e-10 7.719877e-10 7.539828e-10 7.386718e-10 7.253525000000001e-10 7.135659000000001e-10 7.029954e-10 6.934133e-10 6.846505e-10 6.765778000000001e-10 6.690945e-10 6.621203000000001e-10 6.555904e-10 6.494514e-10 6.436593e-10 6.381769e-10 6.329727000000001e-10 6.280198999999999e-10 6.232954000000001e-10 6.187789000000001e-10 6.14453e-10 6.11508e-10 6.084085e-10 6.051374e-10 6.016746000000001e-10 5.979962e-10 5.940736e-10 5.89872e-10 5.853486e-10 5.804501e-10 5.751086000000001e-10 5.692358e-10 5.627145e-10 5.553832e-10 5.470119e-10 5.37256e-10 5.255649e-10 5.10976e-10 4.91562e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.366211 0.595043 0.793609 0.968645 1.12598 1.26874 1.398 1.51485 1.62059 1.7164 1.8032 1.88168 1.95235 2.01559 2.07171 2.12101 2.16376 2.20019 2.23053 2.25498 2.27372 2.28692 2.29473 2.2973 2.29604 2.29186 2.28404 2.27166 2.25354 2.22809 2.19322 2.14606 2.0826 1.99717 1.88139 1.7226 1.50078 1.18275 0.709785 -0.0315952 -1.2898 -3.72211 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.867347024797888e-20 9.533639829706944e-20 1.2715017858564674e-19 1.551940372854816e-19 1.8040188314883841e-19 2.032745565873792e-19 2.2398429158784e-19 2.4270572540188803e-19 2.596471409902272e-19 2.74997595194112e-19 2.88904488262656e-19 3.0147837038269443e-19 3.12800952561888e-19 3.229331175118272e-19 3.319245327077568e-19 3.3982326344830083e-19 3.466725685022208e-19 3.5250929793179523e-19 3.5737030179930243e-19 3.6128762363715846e-19 3.642901026245376e-19 3.664049757639936e-19 3.676562757048384e-19 3.68068035096384e-19 3.6786616084216323e-19 3.671964510146688e-19 3.6594354889720325e-19 3.639600542406528e-19 3.6105691020376325e-19 3.569793707038272e-19 3.5139258082709762e-19 3.438367158834048e-19 3.33669303047808e-19 3.199819081763136e-19 3.014319072606912e-19 2.75990944699008e-19 2.404514628964224e-19 1.8949743982512e-19 1.137200932794528e-19 -5.062109076950016e-21 -2.0664874055078402e-19 -5.963477622045888e-19 ] } }