{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.007342 0.532963 0.25 ] [ 0.507342 0.967037 0.75 ] [ 0.492658 0.032963 0.25 ] [ 0.992658 0.467037 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.212725 0.286904 0.459124 ] [ 0.712725 0.213096 0.540876 ] [ 0.287275 0.786904 0.040876 ] [ 0.787275 0.713096 0.959124 ] [ 0.787275 0.713096 0.540876 ] [ 0.287275 0.786904 0.459124 ] [ 0.712725 0.213096 0.959124 ] [ 0.212725 0.286904 0.040876 ] [ 0.922607 0.978916 0.25 ] [ 0.422607 0.521084 0.75 ] [ 0.577393 0.478916 0.25 ] [ 0.077393 0.021084 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.8470911 "source-unit" "angstrom" } "b" { "source-value" 5.91232781 "source-unit" "angstrom" } "c" { "source-value" 8.29829522 "source-unit" "angstrom" } }