{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.980608 0 0.000559 ] [ 0.994956 0 0.665131 ] [ 0.98337 0 0.338248 ] [ 0.744072 0.5 0.851316 ] [ 0.772849 0.5 0.504716 ] [ 0.774051 0.5 0.170849 ] [ 0.481215 0 0.668714 ] [ 0.493748 0 0.998091 ] [ 0.483179 0 0.334889 ] [ 0.237783 0.5 0.813841 ] [ 0.275231 0.5 0.499951 ] [ 0.275292 0.5 0.165449 ] [ 0.911091 0.5 0.405183 ] [ 0.903006 0.5 0.063787 ] [ 0.852055 0 0.892427 ] [ 0.849391 0 0.234903 ] [ 0.850605 0 0.570823 ] [ 0.589218 0.5 0.933766 ] [ 0.401991 0.5 0.730833 ] [ 0.398898 0.5 0.059811 ] [ 0.411083 0.5 0.400594 ] [ 0.346996 0 0.565517 ] [ 0.34964 0 0.2323 ] [ 0.139493 0 0.760287 ] [ 0.895339 0.5 0.727556 ] [ 0.655295 0 0.762096 ] [ 0.659449 0 0.437209 ] [ 0.652531 0 0.107938 ] [ 0.600443 0.5 0.600946 ] [ 0.602992 0.5 0.272354 ] [ 0.330108 0 0.890918 ] [ 0.150444 0 0.101912 ] [ 0.156313 0 0.434225 ] [ 0.100899 0.5 0.93399 ] [ 0.096547 0.5 0.595841 ] [ 0.099816 0.5 0.273035 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "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" 9.46383047 "source-unit" "angstrom" } "b" { "source-value" 3.08528457 "source-unit" "angstrom" } "c" { "source-value" 14.25668328 "source-unit" "angstrom" } "beta" { "source-value" 90.0468129 "source-unit" "degree" } }