{ "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 0.342178 0.75 ] [ 0 0.657822 0.25 ] [ 0.204699 0.948253 0.978655 ] [ 0.795301 0.948253 0.521345 ] [ 0.795301 0.051747 0.021345 ] [ 0.204699 0.051747 0.478655 ] [ 0.5 0.842178 0.75 ] [ 0.5 0.157822 0.25 ] [ 0.704699 0.448253 0.978655 ] [ 0.295301 0.448253 0.521345 ] [ 0.295301 0.551747 0.021345 ] [ 0.704699 0.551747 0.478655 ] [ 0 0.712559 0.75 ] [ 0 0.287441 0.25 ] [ 0.5 0.212559 0.75 ] [ 0.5 0.787441 0.25 ] [ 0.118124 0.715432 0.649651 ] [ 0.881876 0.715432 0.850349 ] [ 0.118124 0.284568 0.149651 ] [ 0.881876 0.284568 0.350349 ] [ 0.618124 0.215432 0.649651 ] [ 0.381876 0.215432 0.850349 ] [ 0.618124 0.784568 0.149651 ] [ 0.381876 0.784568 0.350349 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "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" 9.97106903 "source-unit" "angstrom" } "b" { "source-value" 9.83017868 "source-unit" "angstrom" } "c" { "source-value" 9.91498563 "source-unit" "angstrom" } "beta" { "source-value" 109.87687099 "source-unit" "degree" } }