{ "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" [ [ 0.942524 0.972963 0.825091 ] [ 0.405204 0.523647 0.833815 ] [ 0.594796 0.023647 0.166185 ] [ 0.745007 0.487322 0.489448 ] [ 0.057476 0.472963 0.174909 ] [ 0.254993 0.987322 0.510552 ] [ 0.777132 0.311865 0.274191 ] [ 0.222868 0.811865 0.725809 ] [ 0.892821 0.797732 0.05693 ] [ 0.608972 0.215738 0.93546 ] [ 0.391028 0.715738 0.06454 ] [ 0.107179 0.297732 0.94307 ] [ 0.571835 0.796653 0.388033 ] [ 0.271577 0.192329 0.28518 ] [ 0.728423 0.692329 0.71482 ] [ 0.428165 0.296653 0.611967 ] [ 0.07426 0.701752 0.395782 ] [ 0.92574 0.201752 0.604218 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.88329365 "source-unit" "angstrom" } "b" { "source-value" 4.61220655 "source-unit" "angstrom" } "c" { "source-value" 7.62943719 "source-unit" "angstrom" } "beta" { "source-value" 91.14414321 "source-unit" "degree" } }