{ "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" [ [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.787951 0.652631 0.6261 ] [ 0.712049 0.152631 0.8739 ] [ 0.787951 0.347369 0.1261 ] [ 0.712049 0.847369 0.3739 ] [ 0.287951 0.152631 0.6261 ] [ 0.212049 0.652631 0.8739 ] [ 0.287951 0.847369 0.1261 ] [ 0.212049 0.347369 0.3739 ] [ 0.5 0.297159 0.25 ] [ 0.5 0.702841 0.75 ] [ 0 0.797159 0.25 ] [ 0 0.202841 0.75 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.79192169 "source-unit" "angstrom" } "b" { "source-value" 4.88887218 "source-unit" "angstrom" } "c" { "source-value" 4.86860605 "source-unit" "angstrom" } "beta" { "source-value" 117.1678673 "source-unit" "degree" } }