{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmab" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.950828 0.112003 ] [ 0.25 0.549172 0.112003 ] [ 0.5 0.25 0.603755 ] [ 0 0.25 0.603755 ] [ 0.5 0.75 0.396245 ] [ 0 0.75 0.396245 ] [ 0.25 0.049172 0.887997 ] [ 0.75 0.450828 0.887997 ] [ 0.75 0.836258 0.715185 ] [ 0.75 0.336258 0.284815 ] [ 0.25 0.663742 0.715185 ] [ 0.25 0.163742 0.284815 ] [ 0.75 0.076885 0.835432 ] [ 0.25 0.414668 0.3928 ] [ 0.75 0.585332 0.6072 ] [ 0.25 0.423115 0.835432 ] [ 0.25 0.914668 0.6072 ] [ 0.75 0.576885 0.164568 ] [ 0.25 0.923115 0.164568 ] [ 0.75 0.085332 0.3928 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.43125373 "source-unit" "angstrom" } "b" { "source-value" 8.1225822 "source-unit" "angstrom" } "c" { "source-value" 10.83919893 "source-unit" "angstrom" } }