{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.670142 0 0.335253 ] [ 0.329858 0 0.664747 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.168142 0.5 0.334599 ] [ 0.831858 0.5 0.665401 ] [ 0.332787 0 0.172376 ] [ 0.836961 0.5 0.16849 ] [ 0.163039 0.5 0.83151 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.667213 0 0.827624 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.51536892 "source-unit" "angstrom" } "b" { "source-value" 3.18549257 "source-unit" "angstrom" } "c" { "source-value" 7.70895205 "source-unit" "angstrom" } "beta" { "source-value" 90.17529361 "source-unit" "degree" } }