{ "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" [ [ 0.999926 0 0.000816 ] [ 0.986748 0 0.673738 ] [ 0.993679 0 0.328338 ] [ 0.773858 0.5 0.841671 ] [ 0.7234 0.5 0.496576 ] [ 0.775408 0.5 0.164761 ] [ 0.502043 0 0.658995 ] [ 0.482913 0 0.00207 ] [ 0.493466 0 0.340004 ] [ 0.249477 0.5 0.851917 ] [ 0.270477 0.5 0.501783 ] [ 0.242665 0.5 0.147418 ] [ 0.900908 0.5 0.72909 ] [ 0.905552 0.5 0.062908 ] [ 0.85207 0 0.900136 ] [ 0.849104 0 0.231199 ] [ 0.653914 0 0.429769 ] [ 0.599805 0.5 0.60562 ] [ 0.407699 0.5 0.065998 ] [ 0.398707 0.5 0.395178 ] [ 0.348384 0 0.897664 ] [ 0.342771 0 0.568072 ] [ 0.148277 0 0.10039 ] [ 0.094694 0.5 0.936916 ] [ 0.905464 0.5 0.405811 ] [ 0.851026 0 0.561324 ] [ 0.651133 0 0.774478 ] [ 0.656164 0 0.098715 ] [ 0.602025 0.5 0.935373 ] [ 0.59274 0.5 0.262924 ] [ 0.401087 0.5 0.733524 ] [ 0.343753 0 0.228794 ] [ 0.153115 0 0.764289 ] [ 0.146553 0 0.434645 ] [ 0.092215 0.5 0.598997 ] [ 0.108777 0.5 0.270098 ] ] } "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" 9.63839171 "source-unit" "angstrom" } "b" { "source-value" 3.14268683 "source-unit" "angstrom" } "c" { "source-value" 14.39802185 "source-unit" "angstrom" } "beta" { "source-value" 90.15620409 "source-unit" "degree" } }