{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.415701 0.567399 0.428813 ] [ 0.084299 0.067399 0.571187 ] [ 0.084299 0.567399 0.928813 ] [ 0.415701 0.067399 0.071187 ] [ 0.584299 0.432601 0.571187 ] [ 0.584299 0.932601 0.928813 ] [ 0.915701 0.432601 0.071187 ] [ 0.915701 0.932601 0.428813 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "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" 4.90991435 "source-unit" "angstrom" } "b" { "source-value" 6.21587282 "source-unit" "angstrom" } "c" { "source-value" 6.28891506 "source-unit" "angstrom" } }