{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.641353 0.745965 ] [ 0 0.358647 0.245965 ] [ 0.211734 0.118266 0.829404 ] [ 0.788266 0.118266 0.829404 ] [ 0.788266 0.881734 0.329404 ] [ 0.211734 0.881734 0.329404 ] [ 0 0.215899 0.869486 ] [ 0 0.784101 0.369486 ] [ 0.5 0.930025 0.763687 ] [ 0.5 0.069975 0.263687 ] [ 0.5 0.43625 0.525707 ] [ 0.5 0.56375 0.025707 ] ] } "species" { "source-value" [ "Sr" "Sr" "H" "H" "H" "H" "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" 3.7927339002 "source-unit" "angstrom" } "b" { "source-value" 5.85127403808 "source-unit" "angstrom" } "c" { "source-value" 6.5754543052 "source-unit" "angstrom" } }