{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.736219 0.713403 0.817606 ] [ 0.243319 0.930679 0.977975 ] [ 0.243319 0.569321 0.477975 ] [ 0.756681 0.430679 0.522025 ] [ 0.778255 0.027096 0.611213 ] [ 0.221745 0.527096 0.888787 ] [ 0.221745 0.972904 0.388787 ] [ 0.778255 0.472904 0.111213 ] [ 0.736219 0.786597 0.317606 ] [ 0.263781 0.286597 0.182394 ] [ 0.756681 0.069321 0.022025 ] [ 0.263781 0.213403 0.682394 ] [ 0.224845 0.828668 0.682238 ] [ 0.775155 0.328668 0.817762 ] [ 0.224845 0.671332 0.182238 ] [ 0.775155 0.171332 0.317762 ] [ 0.446674 0.561398 0.231651 ] [ 0.553326 0.061398 0.268349 ] [ 0.553326 0.438602 0.768349 ] [ 0.446674 0.938602 0.731651 ] [ 0.997276 0.724492 0.635338 ] [ 0.002724 0.224492 0.864662 ] [ 0.002724 0.275508 0.364662 ] [ 0.997276 0.775508 0.135338 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "B" "B" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.00918005884 "source-unit" "angstrom" } "b" { "source-value" 9.30551945 "source-unit" "angstrom" } "c" { "source-value" 9.16053500432 "source-unit" "angstrom" } "beta" { "source-value" 110.922819084 "source-unit" "degree" } }