{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.126091 0 0.382824 ] [ 0.873909 0 0.617176 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.626091 0.5 0.382824 ] [ 0.373909 0.5 0.617176 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.992818 0.259546 0.254464 ] [ 0.007182 0.259546 0.745536 ] [ 0.007182 0.740454 0.745536 ] [ 0.992818 0.740454 0.254464 ] [ 0.244865 0.5 0.234361 ] [ 0.755135 0.5 0.765639 ] [ 0.257453 0 0.251613 ] [ 0.742547 0 0.748387 ] [ 0.492818 0.759546 0.254464 ] [ 0.507182 0.759546 0.745536 ] [ 0.507182 0.240454 0.745536 ] [ 0.492818 0.240454 0.254464 ] [ 0.744865 0 0.234361 ] [ 0.255135 0 0.765639 ] [ 0.757453 0.5 0.251613 ] [ 0.242547 0.5 0.748387 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.43869312 "source-unit" "angstrom" } "b" { "source-value" 6.0071134 "source-unit" "angstrom" } "c" { "source-value" 6.12170466 "source-unit" "angstrom" } "beta" { "source-value" 125.39967164 "source-unit" "degree" } }