{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.503967 0.5 0.508218 ] [ 0.50432 0 0.508709 ] [ 0.744409 0.271177 0.989497 ] [ 0.744409 0.728823 0.989497 ] [ 0.003967 0 0.508218 ] [ 0.00432 0.5 0.508709 ] [ 0.244409 0.771177 0.989497 ] [ 0.244409 0.228823 0.989497 ] [ 0.650241 0.5 0.798459 ] [ 0.150241 0 0.798459 ] [ 0.653001 0 0.807568 ] [ 0.896631 0.747511 0.70617 ] [ 0.396631 0.752489 0.70617 ] [ 0.602888 0.754174 0.292767 ] [ 0.102888 0.745826 0.292767 ] [ 0.855854 0.5 0.208517 ] [ 0.844762 0 0.191663 ] [ 0.153001 0.5 0.807568 ] [ 0.396631 0.247511 0.70617 ] [ 0.896631 0.252489 0.70617 ] [ 0.102888 0.254174 0.292767 ] [ 0.602888 0.245826 0.292767 ] [ 0.355854 0 0.208517 ] [ 0.344762 0.5 0.191663 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "F" "F" "F" "F" "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" 9.71266166 "source-unit" "angstrom" } "b" { "source-value" 6.38424612 "source-unit" "angstrom" } "c" { "source-value" 4.84276002 "source-unit" "angstrom" } "beta" { "source-value" 90.65924872 "source-unit" "degree" } }