{ "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" [ [ 0.919563 0.031965 0.770026 ] [ 0.305224 0.242512 0.103633 ] [ 0.718328 0.266745 0.435445 ] [ 0.281672 0.766745 0.064555 ] [ 0.694776 0.742512 0.396367 ] [ 0.080437 0.531965 0.729974 ] [ 0.919563 0.468035 0.270026 ] [ 0.305224 0.257488 0.603633 ] [ 0.718328 0.233255 0.935445 ] [ 0.281672 0.733255 0.564555 ] [ 0.694776 0.757488 0.896367 ] [ 0.080437 0.968035 0.229974 ] [ 0.5 0 0.5 ] [ 0.324489 0.502053 0.333295 ] [ 0.675511 0.002053 0.166705 ] [ 0.5 0.5 0 ] [ 0.324489 0.997947 0.833295 ] [ 0.675511 0.497947 0.666705 ] [ 0 0 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.06534596 "source-unit" "angstrom" } "b" { "source-value" 5.88537168 "source-unit" "angstrom" } "c" { "source-value" 11.64928393 "source-unit" "angstrom" } "beta" { "source-value" 130.39886418 "source-unit" "degree" } }