{ "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" [ [ 0.19585 0.925853 0.341007 ] [ 0.30415 0.425853 0.658993 ] [ 0.80415 0.074147 0.658993 ] [ 0.69585 0.574147 0.341007 ] [ 0.213887 0.562037 0.04474 ] [ 0.286113 0.062037 0.95526 ] [ 0.786113 0.437963 0.95526 ] [ 0.713887 0.937963 0.04474 ] [ 0.959995 0.638659 0.741953 ] [ 0.540005 0.138659 0.258047 ] [ 0.040005 0.361341 0.258047 ] [ 0.459995 0.861341 0.741953 ] [ 0.044489 0.723646 0.569759 ] [ 0.455511 0.223646 0.430241 ] [ 0.955511 0.276354 0.430241 ] [ 0.544489 0.776354 0.569759 ] [ 0.527216 0.341432 0.114601 ] [ 0.972784 0.841432 0.885399 ] [ 0.472784 0.658568 0.885399 ] [ 0.027216 0.158568 0.114601 ] [ 0.035508 0.363289 0.797251 ] [ 0.464492 0.863289 0.202749 ] [ 0.964492 0.636711 0.202749 ] [ 0.535508 0.136711 0.797251 ] [ 0.714491 0.533174 0.646367 ] [ 0.785509 0.033174 0.353633 ] [ 0.285509 0.466826 0.353633 ] [ 0.214491 0.966826 0.646367 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2181487139 "source-unit" "angstrom" } "b" { "source-value" 8.80307857 "source-unit" "angstrom" } "c" { "source-value" 12.8748258974 "source-unit" "angstrom" } "beta" { "source-value" 105.05896229 "source-unit" "degree" } }