{ "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 0.863445 0.75 ] [ 0 0.136555 0.25 ] [ 0.5 0.363445 0.75 ] [ 0.5 0.636555 0.25 ] [ 0.5 0.900391 0.75 ] [ 0.5 0.099609 0.25 ] [ 0 0.400391 0.75 ] [ 0 0.599609 0.25 ] [ 0.332235 0.784103 0.833643 ] [ 0.332235 0.215897 0.333643 ] [ 0.259495 0.027192 0.771148 ] [ 0.259495 0.972808 0.271148 ] [ 0.740505 0.027192 0.728852 ] [ 0.740505 0.972808 0.228852 ] [ 0.667765 0.784103 0.666357 ] [ 0.667765 0.215897 0.166357 ] [ 0.832235 0.284103 0.833643 ] [ 0.832235 0.715897 0.333643 ] [ 0.759495 0.527192 0.771148 ] [ 0.759495 0.472808 0.271148 ] [ 0.240505 0.527192 0.728852 ] [ 0.240505 0.472808 0.228852 ] [ 0.167765 0.284103 0.666357 ] [ 0.167765 0.715897 0.166357 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Bi" "Bi" "Bi" "Bi" "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" 7.44785453 "source-unit" "angstrom" } "b" { "source-value" 11.52857642 "source-unit" "angstrom" } "c" { "source-value" 5.38568089 "source-unit" "angstrom" } "beta" { "source-value" 130.20174808 "source-unit" "degree" } }