{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.856577 0 0.854703 ] [ 0.835926 0 0.328386 ] [ 0.164074 0 0.671614 ] [ 0.143423 0 0.145297 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.356577 0.5 0.854703 ] [ 0.335926 0.5 0.328386 ] [ 0.664074 0.5 0.671614 ] [ 0.643423 0.5 0.145297 ] [ 0.931349 0 0.135225 ] [ 0.068651 0 0.864775 ] [ 0.431349 0.5 0.135225 ] [ 0.568651 0.5 0.864775 ] [ 0 0.799615 0.5 ] [ 0.337511 0.801748 0.827852 ] [ 0.61353 0 0.803855 ] [ 0.259766 0 0.456541 ] [ 0.740234 0 0.543459 ] [ 0.38647 0 0.196145 ] [ 0 0.200385 0.5 ] [ 0.337511 0.198252 0.827852 ] [ 0.162489 0.698252 0.172148 ] [ 0.162489 0.301748 0.172148 ] [ 0.5 0.299615 0.5 ] [ 0.837511 0.301748 0.827852 ] [ 0.11353 0.5 0.803855 ] [ 0.759766 0.5 0.456541 ] [ 0.240234 0.5 0.543459 ] [ 0.88647 0.5 0.196145 ] [ 0.5 0.700385 0.5 ] [ 0.837511 0.698252 0.827852 ] [ 0.662489 0.198252 0.172148 ] [ 0.662489 0.801748 0.172148 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.12158088 "source-unit" "angstrom" } "b" { "source-value" 6.83662852 "source-unit" "angstrom" } "c" { "source-value" 7.31409865 "source-unit" "angstrom" } "beta" { "source-value" 111.90942809 "source-unit" "degree" } }