{ "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" [ [ 0.005616 0 0.994961 ] [ 0.492411 0 0.990259 ] [ 0.244073 0.5 0.845524 ] [ 0.758489 0.5 0.812539 ] [ 0.992212 0 0.658586 ] [ 0.516674 0 0.66704 ] [ 0.747477 0.5 0.513505 ] [ 0.222763 0.5 0.501509 ] [ 0.006161 0 0.330389 ] [ 0.498057 0 0.322374 ] [ 0.24496 0.5 0.184388 ] [ 0.753804 0.5 0.184766 ] [ 0.408954 0.5 0.933886 ] [ 0.153363 0 0.89734 ] [ 0.855126 0 0.765644 ] [ 0.591807 0.5 0.732366 ] [ 0.903754 0.5 0.600444 ] [ 0.149222 0 0.563698 ] [ 0.650305 0 0.563042 ] [ 0.093121 0.5 0.396523 ] [ 0.405805 0.5 0.270257 ] [ 0.90708 0.5 0.271134 ] [ 0.152819 0 0.23088 ] [ 0.657165 0 0.232914 ] [ 0.891793 0.5 0.934631 ] [ 0.659865 0 0.899643 ] [ 0.342502 0 0.765039 ] [ 0.104004 0.5 0.730884 ] [ 0.398317 0.5 0.60071 ] [ 0.348658 0 0.436855 ] [ 0.842901 0 0.435004 ] [ 0.598517 0.5 0.398443 ] [ 0.349882 0 0.100993 ] [ 0.850213 0 0.101135 ] [ 0.101972 0.5 0.069287 ] [ 0.600158 0.5 0.063412 ] ] } "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" 9.6429966 "source-unit" "angstrom" } "b" { "source-value" 3.12805095 "source-unit" "angstrom" } "c" { "source-value" 14.33449097 "source-unit" "angstrom" } "beta" { "source-value" 90.43392686 "source-unit" "degree" } }