{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.709796 0.763964 ] [ 0.5 0.709796 0.236036 ] [ 0 0.290204 0.736036 ] [ 0 0.290204 0.263964 ] [ 0 0.773944 0.5 ] [ 0.5 0.226056 0 ] [ 0.5 0.262717 0.5 ] [ 0 0.737283 0 ] [ 0.5 0.280914 0.733038 ] [ 0.5 0.280914 0.266962 ] [ 0 0.719086 0.766962 ] [ 0 0.719086 0.233038 ] [ 0.733747 0.498253 0.5 ] [ 0.266253 0.498253 0.5 ] [ 0.742767 0.048983 0.5 ] [ 0.257233 0.048983 0.5 ] [ 0.242767 0.951017 0 ] [ 0.757233 0.951017 0 ] [ 0.766253 0.501747 0 ] [ 0.233747 0.501747 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cd" "Cd" "W" "W" "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" 5.82887693 "source-unit" "angstrom" } "b" { "source-value" 6.06382422 "source-unit" "angstrom" } "c" { "source-value" 8.33515874 "source-unit" "angstrom" } }