{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.967619 0.75 0.322308 ] [ 0.467619 0.25 0.177692 ] [ 0.032381 0.25 0.677692 ] [ 0.532381 0.75 0.822308 ] [ 0.169711 0.430939 0.625418 ] [ 0.669711 0.569061 0.874582 ] [ 0.830289 0.930939 0.374582 ] [ 0.330289 0.069061 0.125418 ] [ 0.830289 0.569061 0.374582 ] [ 0.330289 0.430939 0.125418 ] [ 0.169711 0.069061 0.625418 ] [ 0.669711 0.930939 0.874582 ] [ 0.239764 0.75 0.875793 ] [ 0.739764 0.25 0.624207 ] [ 0.760236 0.25 0.124207 ] [ 0.260236 0.75 0.375793 ] [ 0.54618 0.75 0.647855 ] [ 0.04618 0.25 0.852145 ] [ 0.45382 0.25 0.352145 ] [ 0.95382 0.75 0.147855 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.84577816 "source-unit" "angstrom" } "b" { "source-value" 6.83478826 "source-unit" "angstrom" } "c" { "source-value" 8.69936078 "source-unit" "angstrom" } }