{ "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" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.76075 0.75 ] [ 0 0.23925 0.25 ] [ 0.5 0.26075 0.75 ] [ 0.5 0.73925 0.25 ] [ 0 0.864687 0.452899 ] [ 0 0.135313 0.547101 ] [ 0 0.135313 0.952899 ] [ 0 0.864687 0.047101 ] [ 0.5 0.934511 0.75 ] [ 0.5 0.065489 0.25 ] [ 0.5 0.364687 0.452899 ] [ 0.5 0.635313 0.547101 ] [ 0.5 0.635313 0.952899 ] [ 0.5 0.364687 0.047101 ] [ 0 0.434511 0.75 ] [ 0 0.565489 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "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" 4.29663089 "source-unit" "angstrom" } "b" { "source-value" 14.22840582 "source-unit" "angstrom" } "c" { "source-value" 11.02069112 "source-unit" "angstrom" } }