{ "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 0.192884 0 ] [ 0 0.807116 0 ] [ 0.5 0.692884 0 ] [ 0.5 0.307116 0 ] [ 0.708062 0 0.744428 ] [ 0.291938 0 0.255572 ] [ 0.208062 0.5 0.744428 ] [ 0.791938 0.5 0.255572 ] [ 0.874378 0.660058 0.210684 ] [ 0.125622 0.660058 0.789316 ] [ 0.130624 0 0.158373 ] [ 0.869376 0 0.841627 ] [ 0.874378 0.339942 0.210684 ] [ 0.125622 0.339942 0.789316 ] [ 0.374378 0.160058 0.210684 ] [ 0.625622 0.160058 0.789316 ] [ 0.630624 0.5 0.158373 ] [ 0.369376 0.5 0.841627 ] [ 0.374378 0.839942 0.210684 ] [ 0.625622 0.839942 0.789316 ] [ 0.728454 0 0.445767 ] [ 0.271546 0 0.554233 ] [ 0.228454 0.5 0.445767 ] [ 0.771546 0.5 0.554233 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.61247055 "source-unit" "angstrom" } "b" { "source-value" 7.68847796 "source-unit" "angstrom" } "c" { "source-value" 5.30769569 "source-unit" "angstrom" } "beta" { "source-value" 91.63673679 "source-unit" "degree" } }