{ "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 0.3839 0.368229 ] [ 0.75 0.6161 0.631771 ] [ 0.25 0.8839 0.131771 ] [ 0.75 0.1161 0.868229 ] [ 0.75 0.329971 0.537971 ] [ 0.25 0.170029 0.037971 ] [ 0.75 0.829971 0.962029 ] [ 0.25 0.670029 0.462029 ] [ 0.25 0.473286 0.810557 ] [ 0.75 0.026714 0.310557 ] [ 0.25 0.973286 0.689443 ] [ 0.75 0.526714 0.189443 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "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" 4.08866297 "source-unit" "angstrom" } "b" { "source-value" 8.46763868 "source-unit" "angstrom" } "c" { "source-value" 10.57737491 "source-unit" "angstrom" } }