{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.854419 0.25 ] [ 0 0.145581 0.75 ] [ 0.5 0.344632 0.25 ] [ 0.5 0.655368 0.75 ] [ 0.228035 0.107983 0.428428 ] [ 0.228035 0.892017 0.928428 ] [ 0.253503 0.62306 0.406971 ] [ 0.253503 0.37694 0.906971 ] [ 0.746497 0.62306 0.093029 ] [ 0.746497 0.37694 0.593029 ] [ 0.771965 0.107983 0.071572 ] [ 0.771965 0.892017 0.571572 ] ] } "species" { "source-value" [ "Mn" "Mn" "Fe" "Fe" "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" 4.40513576 "source-unit" "angstrom" } "b" { "source-value" 5.57960631 "source-unit" "angstrom" } "c" { "source-value" 4.98157062 "source-unit" "angstrom" } "beta" { "source-value" 90.78879111 "source-unit" "degree" } }