{ "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 0.893393 0.163233 ] [ 0.75 0.106607 0.836767 ] [ 0.25 0.393393 0.336767 ] [ 0.75 0.606607 0.663233 ] [ 0.25 0.162728 0.048755 ] [ 0.75 0.837272 0.951245 ] [ 0.25 0.662728 0.451245 ] [ 0.75 0.337272 0.548755 ] [ 0.25 0.492552 0.811846 ] [ 0.75 0.507448 0.188154 ] [ 0.25 0.992552 0.688154 ] [ 0.75 0.007448 0.311846 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "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" 4.31220559 "source-unit" "angstrom" } "b" { "source-value" 9.23329379 "source-unit" "angstrom" } "c" { "source-value" 10.82036566 "source-unit" "angstrom" } }