{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.763355 0.75 ] [ 0 0.236645 0.25 ] [ 0.5 0.263355 0.75 ] [ 0.5 0.736645 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.878731 0.053981 ] [ 0 0.121269 0.946019 ] [ 0 0.121269 0.553981 ] [ 0 0.878731 0.446019 ] [ 0.5 0.378731 0.053981 ] [ 0.5 0.621269 0.946019 ] [ 0.5 0.621269 0.553981 ] [ 0.5 0.378731 0.446019 ] [ 0.5 0.05189 0.25 ] [ 0.5 0.94811 0.75 ] [ 0 0.55189 0.25 ] [ 0 0.44811 0.75 ] [ 0 0.809923 0.085105 ] [ 0 0.190077 0.585105 ] [ 0 0.809923 0.414895 ] [ 0 0.190077 0.914895 ] [ 0.5 0.309923 0.085105 ] [ 0.5 0.690077 0.585105 ] [ 0.5 0.309923 0.414895 ] [ 0.5 0.690077 0.914895 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Hg" "Hg" "Hg" "Hg" "C" "C" "C" "C" "C" "C" "C" "C" "I" "I" "I" "I" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.49494066 "source-unit" "angstrom" } "b" { "source-value" 16.4057297 "source-unit" "angstrom" } "c" { "source-value" 9.87948139 "source-unit" "angstrom" } }