{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.102359 0.389506 0.173987 ] [ 0.102359 0.610494 0.673987 ] [ 0.602359 0.889506 0.173987 ] [ 0.602359 0.110494 0.673987 ] [ 0.999686 0.033819 0.49995 ] [ 0.999686 0.966181 0.99995 ] [ 0.499686 0.533819 0.49995 ] [ 0.499686 0.466181 0.99995 ] [ 0.178969 0.691376 0.321975 ] [ 0.178969 0.308624 0.821975 ] [ 0.039059 0.691563 0.320807 ] [ 0.039059 0.308437 0.820807 ] [ 0.678969 0.191376 0.321975 ] [ 0.678969 0.808624 0.821975 ] [ 0.539059 0.191563 0.320807 ] [ 0.539059 0.808437 0.820807 ] [ 0.909113 0.288077 0.505445 ] [ 0.909113 0.711923 0.005445 ] [ 0.160856 0.992897 0.75132 ] [ 0.160856 0.007103 0.25132 ] [ 0.826463 0.835587 0.505752 ] [ 0.826463 0.164413 0.005752 ] [ 0.409113 0.788077 0.505445 ] [ 0.409113 0.211923 0.005445 ] [ 0.660856 0.492897 0.75132 ] [ 0.660856 0.507103 0.25132 ] [ 0.326463 0.335587 0.505752 ] [ 0.326463 0.664413 0.005752 ] [ 0.108396 0.637633 0.348264 ] [ 0.108396 0.362367 0.848264 ] [ 0.608396 0.137633 0.348264 ] [ 0.608396 0.862367 0.848264 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cd" "Cd" "Cd" "Cd" "H" "H" "H" "H" "H" "H" "H" "H" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "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" 11.0946025616 "source-unit" "angstrom" } "b" { "source-value" 10.24316262 "source-unit" "angstrom" } "c" { "source-value" 8.98693993124 "source-unit" "angstrom" } "beta" { "source-value" 90.5031248019 "source-unit" "degree" } }