{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.249778 0.75 ] [ 0.5 0.750222 0.25 ] [ 0 0.749778 0.75 ] [ 0 0.250222 0.25 ] [ 0 0.89172 0.25 ] [ 0 0.10828 0.75 ] [ 0.5 0.861086 0.577791 ] [ 0.5 0.138914 0.422209 ] [ 0.5 0.861086 0.922209 ] [ 0.5 0.138914 0.077791 ] [ 0.5 0.39172 0.25 ] [ 0.5 0.60828 0.75 ] [ 0 0.361086 0.577791 ] [ 0 0.638914 0.422209 ] [ 0 0.361086 0.922209 ] [ 0 0.638914 0.077791 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "La" "La" "La" "La" "Se" "Se" "Se" "Se" "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" 4.20440025 "source-unit" "angstrom" } "b" { "source-value" 14.5614682 "source-unit" "angstrom" } "c" { "source-value" 9.30070998 "source-unit" "angstrom" } }