{ "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 0.333006 0.25 ] [ 0 0.666994 0.75 ] [ 0.5 0.833006 0.25 ] [ 0.5 0.166994 0.75 ] [ 0 0.313723 0.75 ] [ 0 0.686277 0.25 ] [ 0.5 0.813723 0.75 ] [ 0.5 0.186277 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.079458 0.25 ] [ 0 0.920542 0.75 ] [ 0.108394 0.203096 0.615089 ] [ 0.891606 0.203096 0.884911 ] [ 0.891606 0.796904 0.384911 ] [ 0.108394 0.796904 0.115089 ] [ 0.691848 0.062113 0.419765 ] [ 0.308152 0.062113 0.080235 ] [ 0.308152 0.937887 0.580235 ] [ 0.691848 0.937887 0.919765 ] [ 0.5 0.579458 0.25 ] [ 0.5 0.420542 0.75 ] [ 0.608394 0.703096 0.615089 ] [ 0.391606 0.703096 0.884911 ] [ 0.391606 0.296904 0.384911 ] [ 0.608394 0.296904 0.115089 ] [ 0.191848 0.562113 0.419765 ] [ 0.808152 0.562113 0.080235 ] [ 0.808152 0.437887 0.580235 ] [ 0.191848 0.437887 0.919765 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ge" "Ge" "Ge" "Ge" "Sb" "Sb" "Sb" "Sb" "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" 6.87099923 "source-unit" "angstrom" } "b" { "source-value" 9.02068004 "source-unit" "angstrom" } "c" { "source-value" 7.35317784 "source-unit" "angstrom" } "beta" { "source-value" 115.18179126 "source-unit" "degree" } }