{ "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" [ [ 0.102635 0 0.904245 ] [ 0 0.5 0.5 ] [ 0.397365 0.5 0.095755 ] [ 0.602635 0.5 0.904245 ] [ 0.5 0 0.5 ] [ 0.897365 0 0.095755 ] [ 0.803568 0.5 0.705846 ] [ 0.196432 0.5 0.294154 ] [ 0.303568 0 0.705846 ] [ 0.696432 0 0.294154 ] [ 0.295433 0.257894 0.208447 ] [ 0.204567 0.757894 0.791553 ] [ 0.295433 0.742106 0.208447 ] [ 0.105517 0.249894 0.393559 ] [ 0.204567 0.242106 0.791553 ] [ 0 0.733779 0 ] [ 0.105517 0.750106 0.393559 ] [ 0.894483 0.249894 0.606441 ] [ 0 0.266221 0 ] [ 0.894483 0.750106 0.606441 ] [ 0.795433 0.757894 0.208447 ] [ 0.704567 0.257894 0.791553 ] [ 0.795433 0.242106 0.208447 ] [ 0.605517 0.749894 0.393559 ] [ 0.704567 0.742106 0.791553 ] [ 0.5 0.233779 0 ] [ 0.605517 0.250106 0.393559 ] [ 0.394483 0.749894 0.606441 ] [ 0.5 0.766221 0 ] [ 0.394483 0.250106 0.606441 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "U" "U" "U" "U" "O" "O" "O" "O" "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" 11.77963863 "source-unit" "angstrom" } "b" { "source-value" 5.36835395 "source-unit" "angstrom" } "c" { "source-value" 8.37113471 "source-unit" "angstrom" } "beta" { "source-value" 133.11032779 "source-unit" "degree" } }