{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.782039 0.218468 0.034036 ] [ 0.717961 0.718468 0.465964 ] [ 0.282039 0.281532 0.965964 ] [ 0.217961 0.781532 0.534036 ] [ 0.782039 0.218468 0.465964 ] [ 0.717961 0.718468 0.034036 ] [ 0.282039 0.281532 0.534036 ] [ 0.217961 0.781532 0.965964 ] [ 0.065111 0.511522 0.25 ] [ 0.434889 0.011522 0.25 ] [ 0.565111 0.988478 0.75 ] [ 0.934889 0.488478 0.75 ] [ 0.992911 0.972427 0.25 ] [ 0.507089 0.472427 0.25 ] [ 0.492911 0.527573 0.75 ] [ 0.007089 0.027573 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Si" "Si" "Si" "Si" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.15882967 "source-unit" "angstrom" } "b" { "source-value" 7.20019712 "source-unit" "angstrom" } "c" { "source-value" 10.15259766 "source-unit" "angstrom" } }