{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.997349 ] [ 0.333333 0.666667 0.599869 ] [ 0.666667 0.333333 0.7387 ] [ 0.333333 0.666667 0.221282 ] ] } "species" { "source-value" [ "Sc" "Cu" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.75108815 "source-unit" "angstrom" } "c" { "source-value" 6.01442899 "source-unit" "angstrom" } }