{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.261003 0 ] [ 0 0.738997 0 ] [ 0.5 0.761003 0.5 ] [ 0.5 0.238997 0.5 ] [ 0 0 0.654432 ] [ 0 0 0.345568 ] [ 0.5 0.5 0.154432 ] [ 0.5 0.5 0.845568 ] [ 0.5 0.66726 0 ] [ 0.5 0.33274 0 ] [ 0.231118 0 0.759347 ] [ 0.231118 0 0.240653 ] [ 0.768882 0 0.240653 ] [ 0.768882 0 0.759347 ] [ 0 0.16726 0.5 ] [ 0 0.83274 0.5 ] [ 0.731118 0.5 0.259347 ] [ 0.731118 0.5 0.740653 ] [ 0.268882 0.5 0.740653 ] [ 0.268882 0.5 0.259347 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.34896336416 "source-unit" "angstrom" } "b" { "source-value" 9.36145454095 "source-unit" "angstrom" } "c" { "source-value" 9.70072563661 "source-unit" "angstrom" } }