{ "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" [ [ 0.5 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0 ] [ 0.778479 0.5 0.258893 ] [ 0.506206 0.245842 0.286387 ] [ 0.993794 0.745842 0.713613 ] [ 0.743773 0 0.213277 ] [ 0.756227 0.5 0.786723 ] [ 0.506206 0.754158 0.286387 ] [ 0.993794 0.254158 0.713613 ] [ 0.721521 0 0.741107 ] [ 0.278479 0 0.258893 ] [ 0.006206 0.745842 0.286387 ] [ 0.493794 0.245842 0.713613 ] [ 0.243773 0.5 0.213277 ] [ 0.256227 0 0.786723 ] [ 0.006206 0.254158 0.286387 ] [ 0.493794 0.754158 0.713613 ] [ 0.221521 0.5 0.741107 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.58307917 "source-unit" "angstrom" } "b" { "source-value" 5.76395683 "source-unit" "angstrom" } "c" { "source-value" 5.93518283 "source-unit" "angstrom" } "beta" { "source-value" 122.85244454 "source-unit" "degree" } }