{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.11176 0.993733 ] [ 0 0.88824 0.493733 ] [ 0.5 0.61176 0.993733 ] [ 0.5 0.38824 0.493733 ] [ 0 0.146538 0.524741 ] [ 0 0.853462 0.024741 ] [ 0.5 0.646538 0.524741 ] [ 0.5 0.353462 0.024741 ] [ 0.5 0.849074 0.20445 ] [ 0.5 0.150926 0.70445 ] [ 0.5 0.882343 0.821142 ] [ 0.5 0.117657 0.321142 ] [ 0 0.349074 0.20445 ] [ 0 0.650926 0.70445 ] [ 0 0.382343 0.821142 ] [ 0 0.617657 0.321142 ] [ 0 0.982856 0.274292 ] [ 0 0.017144 0.774292 ] [ 0.5 0.071243 0.501988 ] [ 0.5 0.232096 0.138519 ] [ 0.5 0.751766 0.366834 ] [ 0.5 0.928757 0.001988 ] [ 0.5 0.248234 0.866834 ] [ 0.5 0.767904 0.638519 ] [ 0.5 0.482856 0.274292 ] [ 0.5 0.517144 0.774292 ] [ 0 0.571243 0.501988 ] [ 0 0.732096 0.138519 ] [ 0 0.251766 0.366834 ] [ 0 0.428757 0.001988 ] [ 0 0.748234 0.866834 ] [ 0 0.267904 0.638519 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.04505747 "source-unit" "angstrom" } "b" { "source-value" 13.94676056 "source-unit" "angstrom" } "c" { "source-value" 14.44453063 "source-unit" "angstrom" } }