{ "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" [ [ 0.186271 0.997152 0.046022 ] [ 0.813729 0.497152 0.453978 ] [ 0.813729 0.002848 0.953978 ] [ 0.186271 0.502848 0.546022 ] [ 0.318357 0.219497 0.197272 ] [ 0.681643 0.719497 0.302728 ] [ 0.681643 0.780503 0.802728 ] [ 0.318357 0.280503 0.697272 ] [ 0.312974 0.770507 0.958402 ] [ 0.687026 0.270507 0.541598 ] [ 0.687026 0.229493 0.041598 ] [ 0.312974 0.729493 0.458402 ] [ 0.001032 0.20945 0.892164 ] [ 0.998968 0.70945 0.607836 ] [ 0.998968 0.79055 0.107836 ] [ 0.001032 0.29055 0.392164 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2109974503 "source-unit" "angstrom" } "b" { "source-value" 6.74073954 "source-unit" "angstrom" } "c" { "source-value" 12.9443809655 "source-unit" "angstrom" } "beta" { "source-value" 108.470884056 "source-unit" "degree" } }