{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.111698 0.5 0.467844 ] [ 0.888302 0.5 0.532156 ] [ 0.78777 0.5 0.888532 ] [ 0.21223 0.5 0.111468 ] [ 0.611698 0 0.467844 ] [ 0.388302 0 0.532156 ] [ 0.28777 0 0.888532 ] [ 0.71223 0 0.111468 ] [ 0.046768 0 0.200958 ] [ 0.953232 0 0.799042 ] [ 0.546768 0.5 0.200958 ] [ 0.453232 0.5 0.799042 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Os" "Os" "Os" "Os" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.10291468717 "source-unit" "angstrom" } "b" { "source-value" 3.13255653328 "source-unit" "angstrom" } "c" { "source-value" 8.60977976966 "source-unit" "angstrom" } "beta" { "source-value" 128.051668652 "source-unit" "degree" } }