{ "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" [ [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0.5 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.770446 0 0.787528 ] [ 0.008611 0.750677 0.796983 ] [ 0.008611 0.249323 0.796983 ] [ 0.771845 0.5 0.78933 ] [ 0.228155 0.5 0.21067 ] [ 0.991389 0.750677 0.203017 ] [ 0.991389 0.249323 0.203017 ] [ 0.229554 0 0.212472 ] [ 0.270446 0.5 0.787528 ] [ 0.508611 0.250677 0.796983 ] [ 0.508611 0.749323 0.796983 ] [ 0.271845 0 0.78933 ] [ 0.728155 0 0.21067 ] [ 0.491389 0.250677 0.203017 ] [ 0.491389 0.749323 0.203017 ] [ 0.729554 0.5 0.212472 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.18178662 "source-unit" "angstrom" } "b" { "source-value" 5.85785231 "source-unit" "angstrom" } "c" { "source-value" 5.96412931 "source-unit" "angstrom" } "beta" { "source-value" 124.39644352 "source-unit" "degree" } }