{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0 0.791544 0.75 ] [ 0.5 0.708456 0.25 ] [ 0.5 0.291544 0.75 ] [ 0 0.208456 0.25 ] [ 0.5 0.644342 0.75 ] [ 0 0.855658 0.25 ] [ 0.642711 0.269537 0.164471 ] [ 0.857289 0.769537 0.335529 ] [ 0.699968 0.045712 0.936311 ] [ 0.300032 0.045712 0.563689 ] [ 0.800032 0.454288 0.063689 ] [ 0.199968 0.454288 0.436311 ] [ 0.642711 0.730463 0.664471 ] [ 0.857289 0.230463 0.835529 ] [ 0 0.144342 0.75 ] [ 0.5 0.355658 0.25 ] [ 0.142711 0.769537 0.164471 ] [ 0.357289 0.269537 0.335529 ] [ 0.199968 0.545712 0.936311 ] [ 0.800032 0.545712 0.563689 ] [ 0.300032 0.954288 0.063689 ] [ 0.699968 0.954288 0.436311 ] [ 0.142711 0.230463 0.664471 ] [ 0.357289 0.730463 0.835529 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Cd" "Cd" "Cd" "Cd" "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" 14.496351074 "source-unit" "angstrom" } "b" { "source-value" 6.41550068889 "source-unit" "angstrom" } "c" { "source-value" 9.05941366295 "source-unit" "angstrom" } "beta" { "source-value" 150.050948325 "source-unit" "degree" } }