{ "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" [ [ 0.426749 0.739321 0.604785 ] [ 0.573251 0.239321 0.895215 ] [ 0.573251 0.260679 0.395215 ] [ 0.426749 0.760679 0.104785 ] [ 0.175991 0.235295 0.653379 ] [ 0.824009 0.735295 0.846621 ] [ 0.824009 0.764705 0.346621 ] [ 0.175991 0.264705 0.153379 ] [ 0.94572 0.847291 0.629338 ] [ 0.05428 0.347291 0.870662 ] [ 0.05428 0.152709 0.370662 ] [ 0.94572 0.652709 0.129338 ] [ 0.209126 0.008963 0.242604 ] [ 0.943545 0.205974 0.558363 ] [ 0.213809 0.489994 0.264219 ] [ 0.943545 0.294026 0.058363 ] [ 0.306194 0.231307 0.547705 ] [ 0.790874 0.991037 0.757396 ] [ 0.693806 0.731307 0.952295 ] [ 0.056455 0.794026 0.441637 ] [ 0.306194 0.268693 0.047705 ] [ 0.786191 0.510006 0.735781 ] [ 0.786191 0.989994 0.235781 ] [ 0.693806 0.768693 0.452295 ] [ 0.209126 0.491037 0.742604 ] [ 0.213809 0.010006 0.764219 ] [ 0.790874 0.508963 0.257396 ] [ 0.056455 0.705974 0.941637 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.49751856853 "source-unit" "angstrom" } "b" { "source-value" 7.12732917 "source-unit" "angstrom" } "c" { "source-value" 13.105793755 "source-unit" "angstrom" } "beta" { "source-value" 108.088116084 "source-unit" "degree" } }