{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.267299 ] [ 0.5 0.25 0.732701 ] [ 0 0.75 0.757985 ] [ 0 0.25 0.242015 ] [ 0 0.75 0.408007 ] [ 0.5 0.574149 0.652546 ] [ 0.5 0.75 0.90667 ] [ 0.5 0.25 0.09333 ] [ 0 0.553559 0.156982 ] [ 0 0.25 0.591993 ] [ 0 0.446441 0.843018 ] [ 0.5 0.074149 0.347454 ] [ 0 0.053559 0.843018 ] [ 0 0.946441 0.156982 ] [ 0.5 0.925851 0.652546 ] [ 0.5 0.425851 0.347454 ] ] } "species" { "source-value" [ "Ca" "Ca" "Th" "Th" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17980678 "source-unit" "angstrom" } "b" { "source-value" 9.22087615 "source-unit" "angstrom" } "c" { "source-value" 13.80782317 "source-unit" "angstrom" } }