{ "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" [ [ 0.5 0.417431 0.75 ] [ 0 0.899622 0.25 ] [ 0.5 0.582569 0.25 ] [ 0 0.100378 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.796165 0.917642 0.623988 ] [ 0.203835 0.082358 0.376012 ] [ 0.293879 0.594567 0.621471 ] [ 0.796165 0.082358 0.123988 ] [ 0.178155 0.641548 0.357613 ] [ 0.32247 0.153908 0.637529 ] [ 0.67753 0.846092 0.362471 ] [ 0.32247 0.846092 0.137529 ] [ 0.178155 0.358452 0.857613 ] [ 0.67753 0.153908 0.862471 ] [ 0.203835 0.917642 0.876012 ] [ 0.706121 0.594567 0.878529 ] [ 0.821845 0.641548 0.142387 ] [ 0.821845 0.358452 0.642387 ] [ 0.706121 0.405433 0.378529 ] [ 0.293879 0.405433 0.121471 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 4.98357336698 "source-unit" "angstrom" } "b" { "source-value" 6.62132965 "source-unit" "angstrom" } "c" { "source-value" 10.1570131768 "source-unit" "angstrom" } "beta" { "source-value" 92.8727062746 "source-unit" "degree" } }