{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.004669 0.007123 0.992966 ] [ 0.685349 0.494811 0.606139 ] [ 0.75398 0.038691 0.410118 ] [ 0.087885 0.512776 0.786714 ] [ 0.948856 0.523761 0.208469 ] [ 0.507322 0.491581 0.002258 ] [ 0.197073 0.994063 0.604718 ] [ 0.398634 0.972469 0.185841 ] [ 0.239291 0.283588 0.004453 ] [ 0.431854 0.233519 0.597101 ] [ 0.008468 0.220924 0.400759 ] [ 0.904387 0.275942 0.784983 ] [ 0.651677 0.21596 0.200129 ] [ 0.320472 0.711802 0.793748 ] [ 0.770168 0.700506 0.005978 ] [ 0.132788 0.767021 0.203274 ] [ 0.968476 0.775336 0.60487 ] [ 0.590442 0.7754 0.407756 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "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" 5.41486914 "source-unit" "angstrom" } "b" { "source-value" 5.45195723 "source-unit" "angstrom" } "c" { "source-value" 7.62950003 "source-unit" "angstrom" } "alpha" { "source-value" 80.70153076 "source-unit" "degree" } "beta" { "source-value" 70.34496579 "source-unit" "degree" } "gamma" { "source-value" 65.37910927 "source-unit" "degree" } }