{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.657606 0 0.191912 ] [ 0.904981 0.751186 0.30817 ] [ 0.404981 0.748814 0.30817 ] [ 0.095019 0.751186 0.69183 ] [ 0.595019 0.748814 0.69183 ] [ 0.842394 0.5 0.808088 ] [ 0.157606 0.5 0.191912 ] [ 0.404981 0.251186 0.30817 ] [ 0.904981 0.248814 0.30817 ] [ 0.595019 0.251186 0.69183 ] [ 0.095019 0.248814 0.69183 ] [ 0.342394 0 0.808088 ] [ 0.641311 0.5 0.214795 ] [ 0.858689 0 0.785205 ] [ 0.141311 0 0.214795 ] [ 0.358689 0.5 0.785205 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.19711515 "source-unit" "angstrom" } "b" { "source-value" 6.02296582 "source-unit" "angstrom" } "c" { "source-value" 4.58436286 "source-unit" "angstrom" } "beta" { "source-value" 92.37689685 "source-unit" "degree" } }