{ "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" [ [ 0.338051 0 0.25 ] [ 0.661949 0 0.75 ] [ 0.838051 0.5 0.25 ] [ 0.161949 0.5 0.75 ] [ 0.831923 0 0.25 ] [ 0.168077 0 0.75 ] [ 0.331923 0.5 0.25 ] [ 0.668077 0.5 0.75 ] [ 0.025573 0.18281 0.75 ] [ 0.974427 0.81719 0.25 ] [ 0.025573 0.81719 0.75 ] [ 0.974427 0.18281 0.25 ] [ 0.685105 0 0.430044 ] [ 0.314895 0 0.930044 ] [ 0.685105 0 0.069956 ] [ 0.314895 0 0.569956 ] [ 0.525573 0.68281 0.75 ] [ 0.474427 0.31719 0.25 ] [ 0.525573 0.31719 0.75 ] [ 0.474427 0.68281 0.25 ] [ 0.185105 0.5 0.430044 ] [ 0.814895 0.5 0.930044 ] [ 0.185105 0.5 0.069956 ] [ 0.814895 0.5 0.569956 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ga" "Ga" "Ga" "Ga" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53088109209 "source-unit" "angstrom" } "b" { "source-value" 7.08924519812 "source-unit" "angstrom" } "c" { "source-value" 7.08934664 "source-unit" "angstrom" } }