{ "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" [ [ 0.816576 0 0.25 ] [ 0.183424 0 0.75 ] [ 0.316576 0.5 0.25 ] [ 0.683424 0.5 0.75 ] [ 0.916065 0.208963 0.75 ] [ 0.083935 0.208963 0.25 ] [ 0.916065 0.791037 0.75 ] [ 0.083935 0.791037 0.25 ] [ 0.416065 0.708963 0.75 ] [ 0.583935 0.708963 0.25 ] [ 0.416065 0.291037 0.75 ] [ 0.583935 0.291037 0.25 ] [ 0.904131 0.391002 0.25 ] [ 0.904131 0.608998 0.25 ] [ 0.095869 0.391002 0.75 ] [ 0.095869 0.608998 0.75 ] [ 0.404131 0.891002 0.25 ] [ 0.404131 0.108998 0.25 ] [ 0.595869 0.891002 0.75 ] [ 0.595869 0.108998 0.75 ] [ 0.338877 0 0.25 ] [ 0 0.129401 0 ] [ 0.935019 0.36964 0.75 ] [ 0.661123 0 0.75 ] [ 0 0.870599 0 ] [ 0.803703 0.698698 0.25 ] [ 0.803703 0.301302 0.25 ] [ 0.196297 0.698698 0.75 ] [ 0.064981 0.63036 0.25 ] [ 0.935019 0.63036 0.75 ] [ 0.196297 0.301302 0.75 ] [ 0 0.129401 0.5 ] [ 0 0.870599 0.5 ] [ 0.064981 0.36964 0.25 ] [ 0.838877 0.5 0.25 ] [ 0.5 0.629401 0 ] [ 0.435019 0.86964 0.75 ] [ 0.161123 0.5 0.75 ] [ 0.5 0.370599 0 ] [ 0.303703 0.198698 0.25 ] [ 0.303703 0.801302 0.25 ] [ 0.696297 0.198698 0.75 ] [ 0.564981 0.13036 0.25 ] [ 0.435019 0.13036 0.75 ] [ 0.696297 0.801302 0.75 ] [ 0.5 0.629401 0.5 ] [ 0.5 0.370599 0.5 ] [ 0.564981 0.86964 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.43874713723 "source-unit" "angstrom" } "b" { "source-value" 11.8508833025 "source-unit" "angstrom" } "c" { "source-value" 5.80079438 "source-unit" "angstrom" } }