{ "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" [ [ 0.25 0.883572 0.132747 ] [ 0.25 0.383572 0.367253 ] [ 0.75 0.616428 0.632747 ] [ 0.75 0.116428 0.867253 ] [ 0.75 0.318366 0.540324 ] [ 0.25 0.181634 0.040324 ] [ 0.25 0.681634 0.459676 ] [ 0.75 0.818366 0.959676 ] [ 0.75 0.025023 0.303859 ] [ 0.75 0.525023 0.196141 ] [ 0.25 0.974977 0.696141 ] [ 0.25 0.474977 0.803859 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "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" 4.16684458 "source-unit" "angstrom" } "b" { "source-value" 8.56273684 "source-unit" "angstrom" } "c" { "source-value" 11.01651432 "source-unit" "angstrom" } }