{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.75002 0.733915 0.751545 ] [ 0.24998 0.233915 0.248455 ] [ 0.996161 0.906261 0.390294 ] [ 0.003839 0.406261 0.609706 ] [ 0.91402 0.173737 0.906978 ] [ 0.604108 0.993548 0.415179 ] [ 0.562233 0.37797 0.917291 ] [ 0.437767 0.87797 0.082709 ] [ 0.395892 0.493548 0.584821 ] [ 0.08598 0.673737 0.093022 ] [ 0.988651 0.807892 0.20884 ] [ 0.999373 0.692618 0.907471 ] [ 0.972877 0.799219 0.547315 ] [ 0.916249 0.017213 0.820653 ] [ 0.81597 0.014823 0.355912 ] [ 0.832107 0.510369 0.606276 ] [ 0.698152 0.230292 0.924925 ] [ 0.663011 0.533549 0.936751 ] [ 0.600204 0.936327 0.603369 ] [ 0.594848 0.852467 0.956201 ] [ 0.524717 0.859276 0.282524 ] [ 0.512523 0.150716 0.376707 ] [ 0.487477 0.650716 0.623293 ] [ 0.475283 0.359276 0.717476 ] [ 0.405152 0.352467 0.043799 ] [ 0.399796 0.436327 0.396631 ] [ 0.336989 0.033549 0.063249 ] [ 0.301848 0.730292 0.075075 ] [ 0.167893 0.010369 0.393724 ] [ 0.18403 0.514823 0.644088 ] [ 0.083751 0.517213 0.179347 ] [ 0.027123 0.299219 0.452685 ] [ 0.000627 0.192618 0.092529 ] [ 0.011349 0.307892 0.79116 ] ] } "species" { "source-value" [ "Sb" "Sb" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.15356816882 "source-unit" "angstrom" } "b" { "source-value" 8.47060051 "source-unit" "angstrom" } "c" { "source-value" 7.54064269933 "source-unit" "angstrom" } "beta" { "source-value" 91.499168508 "source-unit" "degree" } }