{ "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" [ [ 0.20633 0 0.805872 ] [ 0.5 0.5 0 ] [ 0.29367 0.5 0.194128 ] [ 0.70633 0.5 0.805872 ] [ 0 0 0 ] [ 0.79367 0 0.194128 ] [ 0.901976 0.5 0.598362 ] [ 0.098024 0.5 0.401638 ] [ 0.401976 0 0.598362 ] [ 0.598024 0 0.401638 ] [ 0.90665 0 0.601728 ] [ 0.212341 0.5 0.81563 ] [ 0.09335 0 0.398272 ] [ 0.5 0 0 ] [ 0.287659 0 0.18437 ] [ 0.40665 0.5 0.601728 ] [ 0.712341 0 0.81563 ] [ 0.59335 0.5 0.398272 ] [ 0 0.5 0 ] [ 0.787659 0.5 0.18437 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 9.73919177 "source-unit" "angstrom" } "b" { "source-value" 4.22754865 "source-unit" "angstrom" } "c" { "source-value" 6.88072169 "source-unit" "angstrom" } "beta" { "source-value" 134.83954126 "source-unit" "degree" } }