{ "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" [ [ 0.972663 0.25 0.330992 ] [ 0.027337 0.75 0.669008 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.45382 0.417244 0.184307 ] [ 0.45382 0.082756 0.184307 ] [ 0.987454 0.577303 0.340721 ] [ 0.987454 0.922697 0.340721 ] [ 0.54618 0.917244 0.815693 ] [ 0.54618 0.582756 0.815693 ] [ 0.012546 0.422697 0.659279 ] [ 0.012546 0.077303 0.659279 ] ] } "species" { "source-value" [ "K" "K" "Mn" "Mn" "Mn" "Mn" "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" 3.05066541 "source-unit" "angstrom" } "b" { "source-value" 12.69088926 "source-unit" "angstrom" } "c" { "source-value" 5.1347824 "source-unit" "angstrom" } "beta" { "source-value" 93.35094267 "source-unit" "degree" } }