{ "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" [ [ 0.984936 0 0.000073 ] [ 0.978253 0 0.675133 ] [ 0.997251 0 0.326643 ] [ 0.76705 0.5 0.837533 ] [ 0.7851 0.5 0.498854 ] [ 0.779663 0.5 0.16618 ] [ 0.486975 0 0.669698 ] [ 0.476739 0 0.010737 ] [ 0.496083 0 0.326363 ] [ 0.238454 0.5 0.813242 ] [ 0.25774 0.5 0.512133 ] [ 0.250122 0.5 0.177606 ] [ 0.893908 0.5 0.732168 ] [ 0.910959 0.5 0.396291 ] [ 0.906705 0.5 0.061608 ] [ 0.846062 0 0.899116 ] [ 0.843226 0 0.230095 ] [ 0.851097 0 0.565333 ] [ 0.405635 0.5 0.732067 ] [ 0.394769 0.5 0.068638 ] [ 0.35024 0 0.563641 ] [ 0.353089 0 0.237177 ] [ 0.144732 0 0.763647 ] [ 0.101865 0.5 0.266625 ] [ 0.649657 0 0.769338 ] [ 0.647366 0 0.42982 ] [ 0.649276 0 0.09983 ] [ 0.588087 0.5 0.936642 ] [ 0.600676 0.5 0.600975 ] [ 0.599556 0.5 0.267113 ] [ 0.406508 0.5 0.399418 ] [ 0.343047 0 0.896966 ] [ 0.151685 0 0.098867 ] [ 0.162885 0 0.437444 ] [ 0.104677 0.5 0.933963 ] [ 0.095919 0.5 0.599023 ] ] } "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" 9.46672965 "source-unit" "angstrom" } "b" { "source-value" 3.11601599 "source-unit" "angstrom" } "c" { "source-value" 14.25578009 "source-unit" "angstrom" } "beta" { "source-value" 90.20119892 "source-unit" "degree" } }