{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.946942 0 0.670029 ] [ 0.053058 0 0.329971 ] [ 0.402842 0.5 0.832552 ] [ 0.5 0.5 0.5 ] [ 0.597158 0.5 0.167448 ] [ 0.84456 0.5 0.067396 ] [ 0.766184 0 0.231452 ] [ 0.672299 0 0.566586 ] [ 0.327701 0 0.433414 ] [ 0.233816 0 0.768548 ] [ 0.15544 0.5 0.932604 ] [ 0.721602 0.5 0.735316 ] [ 0.843878 0.5 0.398093 ] [ 0.623586 0 0.895575 ] [ 0.376414 0 0.104425 ] [ 0.156122 0.5 0.601907 ] [ 0.278398 0.5 0.264684 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "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" 4.59505691 "source-unit" "angstrom" } "b" { "source-value" 2.95773779 "source-unit" "angstrom" } "c" { "source-value" 13.59395415 "source-unit" "angstrom" } "beta" { "source-value" 92.26770817 "source-unit" "degree" } }