{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.121375 ] [ 0 0.25 0.878625 ] [ 0.5 0.25 0.621375 ] [ 0.5 0.75 0.378625 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.97103 0.756296 ] [ 0.271306 0.75 0.981549 ] [ 0.728694 0.75 0.981549 ] [ 0 0.02897 0.256296 ] [ 0 0.97103 0.743704 ] [ 0.728694 0.25 0.018451 ] [ 0.271306 0.25 0.018451 ] [ 0.5 0.02897 0.243704 ] [ 0 0.47103 0.256296 ] [ 0.771306 0.25 0.481549 ] [ 0.228694 0.25 0.481549 ] [ 0.5 0.52897 0.756296 ] [ 0.5 0.47103 0.243704 ] [ 0.228694 0.75 0.518451 ] [ 0.771306 0.75 0.518451 ] [ 0 0.52897 0.743704 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "O" "O" "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" 5.98347705 "source-unit" "angstrom" } "b" { "source-value" 6.0079277 "source-unit" "angstrom" } "c" { "source-value" 8.50886511 "source-unit" "angstrom" } }