{ "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" [ [ 0.378131 0 0.134197 ] [ 0.806473 0 0.417389 ] [ 0.621869 0 0.865803 ] [ 0.193527 0 0.582611 ] [ 0.878131 0.5 0.134197 ] [ 0.306473 0.5 0.417389 ] [ 0.121869 0.5 0.865803 ] [ 0.693527 0.5 0.582611 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.110284 0.786781 0.199151 ] [ 0.110284 0.213219 0.199151 ] [ 0.889716 0.786781 0.800849 ] [ 0.889716 0.213219 0.800849 ] [ 0.610284 0.286781 0.199151 ] [ 0.610284 0.713219 0.199151 ] [ 0.389716 0.286781 0.800849 ] [ 0.389716 0.713219 0.800849 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ir" "Ir" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.3222777 "source-unit" "angstrom" } "b" { "source-value" 6.40968005 "source-unit" "angstrom" } "c" { "source-value" 6.27973945 "source-unit" "angstrom" } "beta" { "source-value" 106.47558006 "source-unit" "degree" } }