{ "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" [ [ 0.999214 0.897011 0.014721 ] [ 0.999214 0.102989 0.014721 ] [ 0.957168 0.299414 0.001712 ] [ 0.955488 0.5 0.010725 ] [ 0.957168 0.700586 0.001712 ] [ 0.497957 0 0.509489 ] [ 0.537948 0.397128 0.502448 ] [ 0.535151 0.191258 0.488574 ] [ 0.537948 0.602872 0.502448 ] [ 0.535151 0.808742 0.488574 ] [ 0.810134 0.196936 0.189477 ] [ 0.798456 0.398576 0.190983 ] [ 0.798456 0.601424 0.190983 ] [ 0.810134 0.803064 0.189477 ] [ 0.698723 0.908116 0.70242 ] [ 0.698723 0.091884 0.70242 ] [ 0.690357 0.294601 0.683829 ] [ 0.691095 0.5 0.688405 ] [ 0.690357 0.705399 0.683829 ] [ 0.309578 0.906675 0.312409 ] [ 0.309578 0.093325 0.312409 ] [ 0.813392 0 0.200999 ] [ 0.299675 0.29661 0.2945 ] [ 0.297896 0.5 0.298318 ] [ 0.299675 0.70339 0.2945 ] [ 0.190567 0 0.820222 ] [ 0.192233 0.39767 0.801172 ] [ 0.198164 0.19863 0.803678 ] [ 0.198164 0.80137 0.803678 ] [ 0.192233 0.60233 0.801172 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.73555037 "source-unit" "angstrom" } "b" { "source-value" 15.37415887 "source-unit" "angstrom" } "c" { "source-value" 4.75059885 "source-unit" "angstrom" } "beta" { "source-value" 92.34701288 "source-unit" "degree" } }