{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.257851 0.75 ] [ 0 0.742149 0.25 ] [ 0.5 0.746237 0.25 ] [ 0.5 0.253763 0.75 ] [ 0.288693 0.246666 0.081313 ] [ 0.288693 0.753334 0.581313 ] [ 0.711307 0.753334 0.918687 ] [ 0.711307 0.246666 0.418687 ] ] } "species" { "source-value" [ "Li" "Li" "Ni" "Ni" "S" "S" "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" 5.75880263 "source-unit" "angstrom" } "b" { "source-value" 3.42555846 "source-unit" "angstrom" } "c" { "source-value" 5.93402915 "source-unit" "angstrom" } "beta" { "source-value" 90.0797721 "source-unit" "degree" } }