{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2e" } "basis-atom-coordinates" { "source-value" [ [ 0.289253 0.904847 0.956179 ] [ 0.289253 0.095153 0.043821 ] [ 0.789253 0.904847 0.543821 ] [ 0.789253 0.095153 0.456179 ] [ 0.789253 0.404847 0.956179 ] [ 0.789253 0.595153 0.043821 ] [ 0.289253 0.404847 0.543821 ] [ 0.289253 0.595153 0.456179 ] [ 0.010247 0.945114 0.839894 ] [ 0.010247 0.054886 0.160106 ] [ 0.010247 0.445114 0.660106 ] [ 0.010247 0.554886 0.339894 ] [ 0.510247 0.445114 0.839894 ] [ 0.510247 0.554886 0.160106 ] [ 0.510247 0.945114 0.660106 ] [ 0.510247 0.054886 0.339894 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "S" "S" "S" "S" "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" 5.5546887439 "source-unit" "angstrom" } "b" { "source-value" 7.71584961666 "source-unit" "angstrom" } "c" { "source-value" 14.25809523 "source-unit" "angstrom" } }