{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.035145 0.68784 0.888217 ] [ 0.215473 0.062226 0.111863 ] [ 0.784527 0.937774 0.888137 ] [ 0.215473 0.937774 0.611863 ] [ 0.964855 0.68784 0.611783 ] [ 0.784527 0.062226 0.388137 ] [ 0.035145 0.31216 0.388217 ] [ 0.964855 0.31216 0.111783 ] [ 0.535145 0.18784 0.888217 ] [ 0.715473 0.562226 0.111863 ] [ 0.284527 0.437774 0.888137 ] [ 0.715473 0.437774 0.611863 ] [ 0.464855 0.18784 0.611783 ] [ 0.284527 0.562226 0.388137 ] [ 0.535145 0.81216 0.388217 ] [ 0.464855 0.81216 0.111783 ] [ 0.10182 0.311598 0.660665 ] [ 0.89818 0.311598 0.839335 ] [ 0.10182 0.688402 0.160665 ] [ 0.14645 0.063387 0.839966 ] [ 0.85355 0.936613 0.160034 ] [ 0.89818 0.688402 0.339335 ] [ 0.85355 0.063387 0.660034 ] [ 0.14645 0.936613 0.339966 ] [ 0.60182 0.811598 0.660665 ] [ 0.39818 0.811598 0.839335 ] [ 0.60182 0.188402 0.160665 ] [ 0.64645 0.563387 0.839966 ] [ 0.35355 0.436613 0.160034 ] [ 0.39818 0.188402 0.339335 ] [ 0.35355 0.563387 0.660034 ] [ 0.64645 0.436613 0.339966 ] [ 0.257823 0.187208 0.749924 ] [ 0 0.929651 0.75 ] [ 0.742177 0.187208 0.750076 ] [ 0.046128 0.812391 0.436538 ] [ 0.703962 0.936664 0.565 ] [ 0.703962 0.063336 0.065 ] [ 0.953872 0.187609 0.563462 ] [ 0 0.070349 0.25 ] [ 0.257823 0.812792 0.249924 ] [ 0 0.554752 0.25 ] [ 0.046128 0.187609 0.936538 ] [ 0 0.445248 0.75 ] [ 0.742177 0.812792 0.250076 ] [ 0.953872 0.812391 0.063462 ] [ 0.296038 0.063336 0.435 ] [ 0.296038 0.936664 0.935 ] [ 0.757823 0.687208 0.749924 ] [ 0.5 0.429651 0.75 ] [ 0.242177 0.687208 0.750076 ] [ 0.546128 0.312391 0.436538 ] [ 0.203962 0.436664 0.565 ] [ 0.203962 0.563336 0.065 ] [ 0.453872 0.687609 0.563462 ] [ 0.5 0.570349 0.25 ] [ 0.757823 0.312792 0.249924 ] [ 0.5 0.054752 0.25 ] [ 0.546128 0.687609 0.936538 ] [ 0.5 0.945248 0.75 ] [ 0.242177 0.312792 0.250076 ] [ 0.453872 0.312391 0.063462 ] [ 0.796038 0.563336 0.435 ] [ 0.796038 0.436664 0.935 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3055993985 "source-unit" "angstrom" } "b" { "source-value" 11.3093359017 "source-unit" "angstrom" } "c" { "source-value" 15.8449997484 "source-unit" "angstrom" } "beta" { "source-value" 100.262125892 "source-unit" "degree" } }