{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.483142 0.75 0.75 ] [ 0.516858 0.25 0.25 ] [ 0.01244 0.75 0.084987 ] [ 0.98756 0.25 0.915013 ] [ 0.01244 0.75 0.415013 ] [ 0.98756 0.25 0.584987 ] [ 0.967668 0.25 0.75 ] [ 0.032332 0.75 0.25 ] [ 0.991097 0.75 0.579774 ] [ 0.991097 0.75 0.920226 ] [ 0.008903 0.25 0.079774 ] [ 0.008903 0.25 0.420226 ] ] } "species" { "source-value" [ "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "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" 3.56335091 "source-unit" "angstrom" } "b" { "source-value" 3.97483383 "source-unit" "angstrom" } "c" { "source-value" 11.57233226 "source-unit" "angstrom" } }