{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.685068 0.012913 0.885393 ] [ 0.814932 0.512913 0.614607 ] [ 0.314932 0.987087 0.114607 ] [ 0.185068 0.487087 0.385393 ] [ 0.16616 0.665487 0.860028 ] [ 0.33384 0.165487 0.639972 ] [ 0.83384 0.334513 0.139972 ] [ 0.66616 0.834513 0.360028 ] ] } "species" { "source-value" [ "Li" "Li" "Au" "Au" "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" 7.22175104914 "source-unit" "angstrom" } "b" { "source-value" 4.49960879 "source-unit" "angstrom" } "c" { "source-value" 13.1962978839 "source-unit" "angstrom" } "beta" { "source-value" 92.2832405593 "source-unit" "degree" } }