{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.341976 0 0.701485 ] [ 0.658024 0 0.298515 ] [ 0.841976 0.5 0.701485 ] [ 0.158024 0.5 0.298515 ] [ 0.948832 0.893636 0.102013 ] [ 0.051168 0.893636 0.897987 ] [ 0.051168 0.106364 0.897987 ] [ 0.948832 0.106364 0.102013 ] [ 0.448832 0.393636 0.102013 ] [ 0.551168 0.393636 0.897987 ] [ 0.551168 0.606364 0.897987 ] [ 0.448832 0.606364 0.102013 ] [ 0.886778 0.763968 0.221602 ] [ 0.886778 0.236032 0.221602 ] [ 0.113222 0.763968 0.778398 ] [ 0.113222 0.236032 0.778398 ] [ 0.386778 0.263968 0.221602 ] [ 0.386778 0.736032 0.221602 ] [ 0.613222 0.263968 0.778398 ] [ 0.613222 0.736032 0.778398 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "C" "C" "C" "C" "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" 11.1408969202 "source-unit" "angstrom" } "b" { "source-value" 6.96116853891 "source-unit" "angstrom" } "c" { "source-value" 4.54618232862 "source-unit" "angstrom" } "beta" { "source-value" 90.9240984753 "source-unit" "degree" } }