{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.306723 0.255546 0.092664 ] [ 0.805505 0.761446 0.466312 ] [ 0.693277 0.755546 0.907336 ] [ 0.194495 0.261446 0.533688 ] [ 0.819559 0.260274 0.726718 ] [ 0.180441 0.760274 0.273282 ] [ 0.960575 0.494334 0.210175 ] [ 0.57489 0.25625 0.854004 ] [ 0.356809 0.751386 0.544199 ] [ 0.957645 0.022765 0.216606 ] [ 0.42511 0.75625 0.145996 ] [ 0.039425 0.994334 0.789825 ] [ 0.643191 0.251386 0.455801 ] [ 0.042355 0.522765 0.783394 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Hg" "Hg" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12100459465 "source-unit" "angstrom" } "b" { "source-value" 8.65715718 "source-unit" "angstrom" } "c" { "source-value" 11.3072904927 "source-unit" "angstrom" } "beta" { "source-value" 110.387952096 "source-unit" "degree" } }