{ "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 0.862163 0.25 ] [ 0 0.137837 0.75 ] [ 0.5 0.362163 0.25 ] [ 0.5 0.637837 0.75 ] [ 0.5 0.034296 0.25 ] [ 0.5 0.965704 0.75 ] [ 0 0.534296 0.25 ] [ 0 0.465704 0.75 ] [ 0.5 0.833504 0.75 ] [ 0.5 0.166496 0.25 ] [ 0 0.333504 0.75 ] [ 0 0.666496 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.63009893753 "source-unit" "angstrom" } "b" { "source-value" 11.9500618123 "source-unit" "angstrom" } "c" { "source-value" 3.28605982 "source-unit" "angstrom" } }