{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.114296 0.25 ] [ 0.5 0.885704 0.75 ] [ 0 0.614296 0.25 ] [ 0 0.385704 0.75 ] [ 0 0.132398 0.75 ] [ 0 0.867602 0.25 ] [ 0.5 0.632398 0.75 ] [ 0.5 0.367602 0.25 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "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" 4.47338143273 "source-unit" "angstrom" } "b" { "source-value" 12.6674868778 "source-unit" "angstrom" } "c" { "source-value" 5.06230668 "source-unit" "angstrom" } }