{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.832924 0.556343 ] [ 0.25 0.167076 0.443657 ] [ 0.75 0.332924 0.943657 ] [ 0.25 0.667076 0.056343 ] [ 0.75 0.558478 0.322287 ] [ 0.25 0.441522 0.677713 ] [ 0.75 0.058478 0.177713 ] [ 0.25 0.941522 0.822287 ] [ 0.75 0.33409 0.505734 ] [ 0.25 0.66591 0.494266 ] [ 0.75 0.83409 0.994266 ] [ 0.25 0.16591 0.005734 ] [ 0.75 0.712075 0.713277 ] [ 0.25 0.287925 0.286723 ] [ 0.75 0.212075 0.786723 ] [ 0.25 0.787925 0.213277 ] [ 0.75 0.97754 0.396374 ] [ 0.25 0.02246 0.603626 ] [ 0.75 0.47754 0.103626 ] [ 0.25 0.52246 0.896374 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "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" 4.19910411 "source-unit" "angstrom" } "b" { "source-value" 9.6009319 "source-unit" "angstrom" } "c" { "source-value" 15.68105594 "source-unit" "angstrom" } }