{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.094878 0.25 0.153968 ] [ 0.905122 0.75 0.846032 ] [ 0.582842 0.25 0.656479 ] [ 0.417158 0.75 0.343521 ] [ 0.64109 0.25 0.280909 ] [ 0.35891 0.75 0.719091 ] [ 0.139656 0.25 0.929064 ] [ 0.860344 0.75 0.070936 ] [ 0.685538 0.75 0.51276 ] [ 0.314462 0.25 0.48724 ] [ 0.058916 0.75 0.312532 ] [ 0.941084 0.25 0.687468 ] [ 0.347005 0.75 0.125267 ] [ 0.652995 0.25 0.874733 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "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" 9.23968033784 "source-unit" "angstrom" } "b" { "source-value" 4.43713661 "source-unit" "angstrom" } "c" { "source-value" 14.9962981955 "source-unit" "angstrom" } "beta" { "source-value" 93.133515646 "source-unit" "degree" } }