{ "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 0.248939 0.75 ] [ 0 0.751061 0.25 ] [ 0.5 0.748939 0.75 ] [ 0.5 0.251061 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.866255 0.446044 ] [ 0.5 0.866255 0.053956 ] [ 0.5 0.133745 0.553956 ] [ 0.5 0.133745 0.946044 ] [ 0 0.933512 0.75 ] [ 0 0.066488 0.25 ] [ 0 0.366255 0.446044 ] [ 0 0.366255 0.053956 ] [ 0 0.633745 0.553956 ] [ 0 0.633745 0.946044 ] [ 0.5 0.433512 0.75 ] [ 0.5 0.566488 0.25 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Tm" "Tm" "Tm" "Tm" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.28478292 "source-unit" "angstrom" } "b" { "source-value" 15.65156308 "source-unit" "angstrom" } "c" { "source-value" 11.53898694 "source-unit" "angstrom" } }