{ "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" [ [ 0.106875 0.207676 0.577281 ] [ 0.893125 0.207676 0.922719 ] [ 0.893125 0.792324 0.422719 ] [ 0.106875 0.792324 0.077281 ] [ 0.606875 0.707676 0.577281 ] [ 0.393125 0.707676 0.922719 ] [ 0.393125 0.292324 0.422719 ] [ 0.606875 0.292324 0.077281 ] [ 0 0.063051 0.25 ] [ 0 0.936949 0.75 ] [ 0.5 0.563051 0.25 ] [ 0.5 0.436949 0.75 ] [ 0.088019 0.603724 0.423925 ] [ 0.911981 0.603724 0.076075 ] [ 0.911981 0.396276 0.576075 ] [ 0.088019 0.396276 0.923925 ] [ 0.21945 0.080236 0.321053 ] [ 0.78055 0.080236 0.178947 ] [ 0.78055 0.919764 0.678947 ] [ 0.21945 0.919764 0.821053 ] [ 0.588019 0.103724 0.423925 ] [ 0.411981 0.103724 0.076075 ] [ 0.411981 0.896276 0.576075 ] [ 0.588019 0.896276 0.923925 ] [ 0.71945 0.580236 0.321053 ] [ 0.28055 0.580236 0.178947 ] [ 0.28055 0.419764 0.678947 ] [ 0.71945 0.419764 0.821053 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.35227427 "source-unit" "angstrom" } "b" { "source-value" 6.48386545556 "source-unit" "angstrom" } "c" { "source-value" 7.0564871059 "source-unit" "angstrom" } "beta" { "source-value" 98.0498096521 "source-unit" "degree" } }