{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.495726 ] [ 0.666667 0.333333 0.004274 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.504274 ] [ 0.333333 0.666667 0.995726 ] [ 0 0 0.75 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0 ] [ 0.339301 0.007249 0.87634 ] [ 0.007249 0.667948 0.12366 ] [ 0.667948 0.007249 0.62366 ] [ 0.339301 0.332052 0.62366 ] [ 0.332052 0.992751 0.37634 ] [ 0.992751 0.332052 0.87634 ] [ 0.332052 0.339301 0.12366 ] [ 0.007249 0.339301 0.37634 ] [ 0.660699 0.667948 0.37634 ] [ 0.660699 0.992751 0.12366 ] [ 0.992751 0.660699 0.62366 ] [ 0.667948 0.660699 0.87634 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 5.94485123808 "source-unit" "angstrom" } "c" { "source-value" 11.46075508 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.2538849700000005 "source-unit" "eV" } }