{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.625 0.875 0.875 ] [ 0.375 0.125 0.875 ] [ 0.625 0.125 0.125 ] [ 0.375 0.875 0.125 ] [ 0.625 0.375 0.375 ] [ 0.375 0.625 0.375 ] [ 0.625 0.625 0.625 ] [ 0.375 0.375 0.625 ] [ 0.125 0.875 0.375 ] [ 0.875 0.125 0.375 ] [ 0.125 0.125 0.625 ] [ 0.875 0.875 0.625 ] [ 0.125 0.375 0.875 ] [ 0.875 0.625 0.875 ] [ 0.125 0.625 0.125 ] [ 0.875 0.375 0.125 ] [ 0.375 0.875 0.625 ] [ 0.125 0.875 0.875 ] [ 0.125 0.125 0.125 ] [ 0.375 0.125 0.375 ] [ 0.375 0.375 0.125 ] [ 0.125 0.375 0.375 ] [ 0.125 0.625 0.625 ] [ 0.375 0.625 0.875 ] [ 0.875 0.875 0.125 ] [ 0.625 0.875 0.375 ] [ 0.625 0.125 0.625 ] [ 0.875 0.125 0.875 ] [ 0.875 0.375 0.625 ] [ 0.625 0.375 0.875 ] [ 0.625 0.625 0.125 ] [ 0.875 0.625 0.375 ] [ 0.372177 0.872177 0.872177 ] [ 0.127823 0.627823 0.872177 ] [ 0.872177 0.627823 0.127823 ] [ 0.627823 0.872177 0.127823 ] [ 0.377823 0.122177 0.622177 ] [ 0.622177 0.877823 0.622177 ] [ 0.877823 0.877823 0.877823 ] [ 0.122177 0.122177 0.877823 ] [ 0.372177 0.372177 0.372177 ] [ 0.127823 0.127823 0.372177 ] [ 0.872177 0.127823 0.627823 ] [ 0.627823 0.372177 0.627823 ] [ 0.377823 0.622177 0.122177 ] [ 0.622177 0.377823 0.122177 ] [ 0.877823 0.377823 0.377823 ] [ 0.122177 0.622177 0.377823 ] [ 0.872177 0.872177 0.372177 ] [ 0.627823 0.627823 0.372177 ] [ 0.372177 0.627823 0.627823 ] [ 0.127823 0.872177 0.627823 ] [ 0.877823 0.122177 0.122177 ] [ 0.122177 0.877823 0.122177 ] [ 0.377823 0.877823 0.377823 ] [ 0.622177 0.122177 0.377823 ] [ 0.872177 0.372177 0.872177 ] [ 0.627823 0.127823 0.872177 ] [ 0.372177 0.127823 0.127823 ] [ 0.127823 0.372177 0.127823 ] [ 0.877823 0.622177 0.622177 ] [ 0.122177 0.377823 0.622177 ] [ 0.377823 0.377823 0.877823 ] [ 0.622177 0.622177 0.877823 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.05803925 "source-unit" "angstrom" } }