{ "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 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.227576 0.5 0.189882 ] [ 0.974068 0.746297 0.197218 ] [ 0.974068 0.253703 0.197218 ] [ 0.754204 0.5 0.21538 ] [ 0.245796 0.5 0.78462 ] [ 0.025932 0.746297 0.802782 ] [ 0.025932 0.253703 0.802782 ] [ 0.772424 0.5 0.810118 ] [ 0.727576 0 0.189882 ] [ 0.474068 0.246297 0.197218 ] [ 0.474068 0.753703 0.197218 ] [ 0.254204 0 0.21538 ] [ 0.745796 0 0.78462 ] [ 0.525932 0.246297 0.802782 ] [ 0.525932 0.753703 0.802782 ] [ 0.272424 0 0.810118 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 10.34640514 "source-unit" "angstrom" } "b" { "source-value" 5.82319575 "source-unit" "angstrom" } "c" { "source-value" 6.09678242 "source-unit" "angstrom" } "beta" { "source-value" 122.89729558 "source-unit" "degree" } }