{ "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 0.604672 0.368508 ] [ 0.75 0.395328 0.631492 ] [ 0.75 0.895328 0.868508 ] [ 0.25 0.104672 0.131492 ] [ 0.75 0.660722 0.537396 ] [ 0.75 0.160722 0.962604 ] [ 0.25 0.839278 0.037396 ] [ 0.25 0.339278 0.462604 ] [ 0.75 0.474866 0.190959 ] [ 0.75 0.974866 0.309041 ] [ 0.25 0.025134 0.690959 ] [ 0.25 0.525134 0.809041 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "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" 3.99459522 "source-unit" "angstrom" } "b" { "source-value" 8.67747092 "source-unit" "angstrom" } "c" { "source-value" 10.38560337 "source-unit" "angstrom" } }