{ "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 0.16677 0.5 ] [ 0.5 0.833726 0 ] [ 0.5 0 0.5 ] [ 0.5 0.166274 0 ] [ 0 0.83323 0.5 ] [ 0.5 0.66677 0.5 ] [ 0 0.333726 0 ] [ 0 0.5 0.5 ] [ 0 0.666274 0 ] [ 0.5 0.33323 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.172928 0.166047 0.897856 ] [ 0.827072 0.166047 0.102144 ] [ 0.667821 0.83343 0.59529 ] [ 0.332179 0.83343 0.40471 ] [ 0.832585 0 0.404509 ] [ 0.664131 0 0.895823 ] [ 0.335869 0 0.104177 ] [ 0.167415 0 0.595491 ] [ 0.667821 0.16657 0.59529 ] [ 0.332179 0.16657 0.40471 ] [ 0.172928 0.833953 0.897856 ] [ 0.827072 0.833953 0.102144 ] [ 0.672928 0.666047 0.897856 ] [ 0.327072 0.666047 0.102144 ] [ 0.167821 0.33343 0.59529 ] [ 0.832179 0.33343 0.40471 ] [ 0.332585 0.5 0.404509 ] [ 0.164131 0.5 0.895823 ] [ 0.835869 0.5 0.104177 ] [ 0.667415 0.5 0.595491 ] [ 0.167821 0.66657 0.59529 ] [ 0.832179 0.66657 0.40471 ] [ 0.672928 0.333953 0.897856 ] [ 0.327072 0.333953 0.102144 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.16541938 "source-unit" "angstrom" } "b" { "source-value" 9.07374418 "source-unit" "angstrom" } "c" { "source-value" 9.72361711 "source-unit" "angstrom" } "beta" { "source-value" 90.39362054 "source-unit" "degree" } }