{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.506503 0.030355 0.749056 ] [ 0.993497 0.530355 0.750944 ] [ 0.493497 0.969645 0.250944 ] [ 0.006503 0.469645 0.249056 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.33531 0.260319 0.462121 ] [ 0.16469 0.760319 0.037879 ] [ 0.66469 0.739681 0.537879 ] [ 0.83531 0.239681 0.962121 ] [ 0.238369 0.168377 0.030197 ] [ 0.261631 0.668377 0.469803 ] [ 0.761631 0.831623 0.969803 ] [ 0.738369 0.331623 0.530197 ] [ 0.938747 0.022285 0.202143 ] [ 0.561253 0.522285 0.297857 ] [ 0.061253 0.977715 0.797857 ] [ 0.438747 0.477715 0.702143 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.01486529733 "source-unit" "angstrom" } "b" { "source-value" 6.07418101 "source-unit" "angstrom" } "c" { "source-value" 8.57078040172 "source-unit" "angstrom" } "beta" { "source-value" 90.6980983335 "source-unit" "degree" } }