{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.00011 ] [ 0.333333 0.666667 0.333443 ] [ 0 0 0.666776 ] [ 0.333333 0.666667 0.075846 ] [ 0.333333 0.666667 0.924377 ] [ 0 0 0.40918 ] [ 0 0 0.257711 ] [ 0.666667 0.333333 0.742513 ] [ 0.666667 0.333333 0.591044 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.32778722 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }