{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.760872 0.25 ] [ 0 0.239128 0.75 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0.260872 0.25 ] [ 0.5 0.739128 0.75 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.865068 0.213764 0.375636 ] [ 0.865068 0.786236 0.875636 ] [ 0.634932 0.286236 0.624364 ] [ 0.634932 0.713764 0.124364 ] [ 0.365068 0.713764 0.375636 ] [ 0.365068 0.286236 0.875636 ] [ 0.134932 0.786236 0.624364 ] [ 0.134932 0.213764 0.124364 ] [ 0.840371 0.461844 0.614864 ] [ 0.845592 0.038798 0.161048 ] [ 0.589485 0.688214 0.579444 ] [ 0.840371 0.538156 0.114864 ] [ 0.845592 0.961202 0.661048 ] [ 0.589485 0.311786 0.079444 ] [ 0.654408 0.461202 0.838952 ] [ 0.659629 0.038156 0.385136 ] [ 0.910515 0.188214 0.920556 ] [ 0.910515 0.811786 0.420556 ] [ 0.659629 0.961844 0.885136 ] [ 0.654408 0.538798 0.338952 ] [ 0.340371 0.961844 0.614864 ] [ 0.345592 0.538798 0.161048 ] [ 0.089485 0.188214 0.579444 ] [ 0.340371 0.038156 0.114864 ] [ 0.345592 0.461202 0.661048 ] [ 0.089485 0.811786 0.079444 ] [ 0.154408 0.961202 0.838952 ] [ 0.159629 0.538156 0.385136 ] [ 0.410515 0.688214 0.920556 ] [ 0.410515 0.311786 0.420556 ] [ 0.159629 0.461844 0.885136 ] [ 0.154408 0.038798 0.338952 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 9.75764102719 "source-unit" "angstrom" } "b" { "source-value" 5.60645462 "source-unit" "angstrom" } "c" { "source-value" 9.83468877906 "source-unit" "angstrom" } "beta" { "source-value" 108.111761083 "source-unit" "degree" } }