{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.686816 0.5 0.730047 ] [ 0.313184 0.5 0.269953 ] [ 0.186816 0 0.730047 ] [ 0.813184 0 0.269953 ] [ 0.950835 0.5 0.708219 ] [ 0.049165 0.5 0.291781 ] [ 0 0 0 ] [ 0.450835 0 0.708219 ] [ 0.549165 0 0.291781 ] [ 0.5 0.5 0 ] [ 0.096121 0.5 0.937546 ] [ 0.903879 0.5 0.062454 ] [ 0.131583 0 0.293327 ] [ 0 0.5 0.5 ] [ 0.868417 0 0.706673 ] [ 0.596121 0 0.937546 ] [ 0.403879 0 0.062454 ] [ 0.631583 0.5 0.293327 ] [ 0.5 0 0.5 ] [ 0.368417 0.5 0.706673 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Li" "Li" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.85551129 "source-unit" "angstrom" } "b" { "source-value" 4.42307215 "source-unit" "angstrom" } "c" { "source-value" 10.25215024 "source-unit" "angstrom" } "beta" { "source-value" 114.98805162 "source-unit" "degree" } }