{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.146528 0.986074 0.43489 ] [ 0.211853 0.492123 0.144756 ] [ 0.788147 0.492123 0.855244 ] [ 0.853472 0.986074 0.56511 ] [ 0.646528 0.486074 0.43489 ] [ 0.711853 0.992123 0.144756 ] [ 0.288147 0.992123 0.855244 ] [ 0.353472 0.486074 0.56511 ] [ 0 0.998058 0 ] [ 0.5 0.498058 0 ] [ 0.075709 0.510064 0.710168 ] [ 0.924291 0.510064 0.289832 ] [ 0.575709 0.010064 0.710168 ] [ 0.424291 0.010064 0.289832 ] [ 0.049744 0.717909 0.22504 ] [ 0.129823 0.267568 0.887575 ] [ 0.204556 0.705246 0.655148 ] [ 0.795444 0.705246 0.344852 ] [ 0.870177 0.267568 0.112425 ] [ 0.950256 0.717909 0.77496 ] [ 0 0.316973 0.5 ] [ 0.549744 0.217909 0.22504 ] [ 0.629823 0.767568 0.887575 ] [ 0.704556 0.205246 0.655148 ] [ 0.295444 0.205246 0.344852 ] [ 0.370177 0.767568 0.112425 ] [ 0.450256 0.217909 0.77496 ] [ 0.5 0.816973 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 9.60698982 "source-unit" "angstrom" } "b" { "source-value" 4.50897074 "source-unit" "angstrom" } "c" { "source-value" 6.79298848 "source-unit" "angstrom" } "beta" { "source-value" 100.11556245 "source-unit" "degree" } }