{ "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 0.231629 0.428133 ] [ 0.75 0.768371 0.571867 ] [ 0.25 0.731629 0.071867 ] [ 0.75 0.268371 0.928133 ] [ 0.25 0.006717 0.653309 ] [ 0.75 0.993283 0.346691 ] [ 0.25 0.506717 0.846691 ] [ 0.75 0.493283 0.153309 ] [ 0.75 0.859341 0.912714 ] [ 0.25 0.140659 0.087286 ] [ 0.75 0.359341 0.587286 ] [ 0.25 0.640659 0.412714 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "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" 4.75394171 "source-unit" "angstrom" } "b" { "source-value" 8.2367135 "source-unit" "angstrom" } "c" { "source-value" 10.15750928 "source-unit" "angstrom" } }