{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0 ] [ 0.25 0 0 ] [ 0.25 0.5 0.5 ] [ 0.75 0.5 0.5 ] [ 0 0.192663 0.111765 ] [ 0 0.807337 0.888235 ] [ 0.5 0.192663 0.888235 ] [ 0.5 0.807337 0.111765 ] [ 0.5 0.692663 0.611765 ] [ 0.5 0.307337 0.388235 ] [ 0 0.692663 0.388235 ] [ 0 0.307337 0.611765 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Se" "Se" "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" 5.93148989382 "source-unit" "angstrom" } "b" { "source-value" 6.60920837977 "source-unit" "angstrom" } "c" { "source-value" 10.907250074 "source-unit" "angstrom" } }