{ "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 0.166678 0 ] [ 0 0.833322 0 ] [ 0.5 0.666678 0 ] [ 0.5 0.333322 0 ] [ 0.255627 0.176996 0.791581 ] [ 0.744373 0.176996 0.208419 ] [ 0.213335 0 0.208691 ] [ 0.786665 0 0.791309 ] [ 0.255627 0.823004 0.791581 ] [ 0.744373 0.823004 0.208419 ] [ 0.755627 0.676996 0.791581 ] [ 0.244373 0.676996 0.208419 ] [ 0.713335 0.5 0.208691 ] [ 0.286665 0.5 0.791309 ] [ 0.755627 0.323004 0.791581 ] [ 0.244373 0.323004 0.208419 ] ] } "species" { "source-value" [ "Ir" "Ir" "Ir" "Ir" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.1442293505 "source-unit" "angstrom" } "b" { "source-value" 10.6378280603 "source-unit" "angstrom" } "c" { "source-value" 6.51518841456 "source-unit" "angstrom" } "beta" { "source-value" 107.736188889 "source-unit" "degree" } }