{ "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" [ [ 0.998442 0 0.013821 ] [ 0.500997 0 0.006854 ] [ 0.253247 0.5 0.150269 ] [ 0.780607 0.5 0.172509 ] [ 0.994389 0 0.34069 ] [ 0.499864 0 0.342902 ] [ 0.75007 0.5 0.482458 ] [ 0.251331 0.5 0.478472 ] [ 0.003934 0 0.671007 ] [ 0.498038 0 0.679226 ] [ 0.246013 0.5 0.818838 ] [ 0.716229 0.5 0.841214 ] [ 0.406374 0.5 0.065408 ] [ 0.901733 0.5 0.062664 ] [ 0.15569 0 0.099678 ] [ 0.855767 0 0.235955 ] [ 0.407088 0.5 0.395107 ] [ 0.908101 0.5 0.402509 ] [ 0.152192 0 0.434215 ] [ 0.653781 0 0.435055 ] [ 0.398733 0.5 0.730966 ] [ 0.144657 0 0.763813 ] [ 0.652931 0 0.768501 ] [ 0.591705 0.5 0.941699 ] [ 0.658711 0 0.109656 ] [ 0.352451 0 0.23089 ] [ 0.104301 0.5 0.268752 ] [ 0.597707 0.5 0.267335 ] [ 0.345218 0 0.564188 ] [ 0.850838 0 0.57101 ] [ 0.091184 0.5 0.601211 ] [ 0.595087 0.5 0.602774 ] [ 0.902452 0.5 0.728681 ] [ 0.33589 0 0.89472 ] [ 0.848419 0 0.895768 ] [ 0.095826 0.5 0.931185 ] ] } "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" 9.59339097 "source-unit" "angstrom" } "b" { "source-value" 3.09183512 "source-unit" "angstrom" } "c" { "source-value" 14.26940974 "source-unit" "angstrom" } "beta" { "source-value" 90.62845915 "source-unit" "degree" } }