{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.139686 0.508007 0.5 ] [ 0.860314 0.008007 0 ] [ 0.665032 0.979318 0.5 ] [ 0.334968 0.479318 0 ] [ 0.701863 0.300088 0.5 ] [ 0.298137 0.800088 0 ] [ 0.342931 0.915947 0.5 ] [ 0.657069 0.415947 0 ] [ 0.816121 0.83422 0.692381 ] [ 0.183879 0.33422 0.807619 ] [ 0.183879 0.33422 0.192381 ] [ 0.816121 0.83422 0.307619 ] ] } "species" { "source-value" [ "Hg" "Hg" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0908551 "source-unit" "angstrom" } "b" { "source-value" 5.17040437 "source-unit" "angstrom" } "c" { "source-value" 6.83950145 "source-unit" "angstrom" } }