{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncm" } "basis-atom-coordinates" { "source-value" [ [ 0.389338 0.796302 0.340132 ] [ 0.389338 0.703698 0.159868 ] [ 0.610662 0.296302 0.159868 ] [ 0.610662 0.203698 0.340132 ] [ 0.610662 0.203698 0.659868 ] [ 0.610662 0.296302 0.840132 ] [ 0.389338 0.703698 0.840132 ] [ 0.389338 0.796302 0.659868 ] [ 0.715164 0.842917 0.20569 ] [ 0.715164 0.657083 0.29431 ] [ 0.284836 0.342917 0.29431 ] [ 0.284836 0.157083 0.20569 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.715164 0.842917 0.79431 ] [ 0.715164 0.657083 0.70569 ] [ 0.284836 0.342917 0.70569 ] [ 0.284836 0.157083 0.79431 ] [ 0.551744 0.75 0.75 ] [ 0.448256 0.25 0.75 ] [ 0.448256 0.25 0.25 ] [ 0.551744 0.75 0.25 ] [ 0 0.5 0.363966 ] [ 0 0 0.136034 ] [ 0 0.5 0.636034 ] [ 0 0 0.863966 ] [ 0.12257 0.629436 0 ] [ 0.12257 0.870564 0.5 ] [ 0.87743 0.129436 0.5 ] [ 0.87743 0.370564 0 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.68813014 "source-unit" "angstrom" } "b" { "source-value" 8.19419946 "source-unit" "angstrom" } "c" { "source-value" 8.45151003 "source-unit" "angstrom" } }