{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.659332 0.337913 ] [ 0.659332 0 0.337913 ] [ 0.340668 0 0.662087 ] [ 0.340668 0.340668 0.337913 ] [ 0 0.340668 0.662087 ] [ 0.659332 0.659332 0.662087 ] [ 0.666967 0.833483 0.5 ] [ 0 0.5 0 ] [ 0.166517 0.833483 0.5 ] [ 0.166517 0.333033 0.5 ] [ 0.5 0.5 0.5 ] [ 0.833483 0.666967 0.5 ] [ 0.333033 0.166517 0.5 ] [ 0.833483 0.166517 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.78446771744 "source-unit" "angstrom" } "c" { "source-value" 4.2982305 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.656226660555556 "source-unit" "eV" } }