{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.245359 0.857489 0.639983 ] [ 0.754641 0.357489 0.860017 ] [ 0.245359 0.642511 0.139983 ] [ 0.754641 0.142511 0.360017 ] [ 0.74575 0.498526 0.137487 ] [ 0.74575 0.001474 0.637487 ] [ 0.25425 0.501474 0.862513 ] [ 0.25425 0.998526 0.362513 ] [ 0.417217 0.740641 0.532672 ] [ 0.582902 0.388488 0.724789 ] [ 0.417098 0.888488 0.775211 ] [ 0.980021 0.344554 0.339862 ] [ 0.019979 0.655446 0.660138 ] [ 0.140758 0.139005 0.590793 ] [ 0.582783 0.240641 0.967328 ] [ 0.019979 0.844554 0.160138 ] [ 0.582783 0.259359 0.467328 ] [ 0.980021 0.155446 0.839862 ] [ 0.582902 0.111512 0.224789 ] [ 0.417217 0.759359 0.032672 ] [ 0.859242 0.860995 0.409207 ] [ 0.140758 0.360995 0.090793 ] [ 0.859242 0.639005 0.909207 ] [ 0.417098 0.611512 0.275211 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Tl" "Tl" "Tl" "Tl" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.47489605048 "source-unit" "angstrom" } "b" { "source-value" 8.13004134 "source-unit" "angstrom" } "c" { "source-value" 16.5416974716 "source-unit" "angstrom" } "beta" { "source-value" 95.5174853417 "source-unit" "degree" } }