{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.763073 0 0.733563 ] [ 0.365027 0 0.742966 ] [ 0.262169 0.200775 0.163512 ] [ 0.262169 0.799225 0.163512 ] [ 0.263073 0.5 0.733563 ] [ 0.865027 0.5 0.742966 ] [ 0.762169 0.700775 0.163512 ] [ 0.762169 0.299225 0.163512 ] [ 0.926035 0 0.449869 ] [ 0.426035 0.5 0.449869 ] [ 0.03011 0.808791 0.663051 ] [ 0.630476 0 0.237776 ] [ 0.012158 0 0.236952 ] [ 0.03011 0.191209 0.663051 ] [ 0.53011 0.308791 0.663051 ] [ 0.130476 0.5 0.237776 ] [ 0.512158 0.5 0.236952 ] [ 0.53011 0.691209 0.663051 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "C" "C" "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" 6.0219151446 "source-unit" "angstrom" } "b" { "source-value" 6.01876875199 "source-unit" "angstrom" } "c" { "source-value" 4.92728315385 "source-unit" "angstrom" } "beta" { "source-value" 126.781938528 "source-unit" "degree" } }