{ "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" [ [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.250993 0.5 0.278814 ] [ 0.49102 0.752824 0.731236 ] [ 0.99102 0.747176 0.731236 ] [ 0.749007 0.5 0.721186 ] [ 0.258483 0 0.262277 ] [ 0.50898 0.247176 0.268764 ] [ 0.00898 0.252824 0.268764 ] [ 0.741517 0 0.737723 ] [ 0.750993 0 0.278814 ] [ 0.99102 0.252824 0.731236 ] [ 0.49102 0.247176 0.731236 ] [ 0.249007 0 0.721186 ] [ 0.758483 0.5 0.262277 ] [ 0.00898 0.747176 0.268764 ] [ 0.50898 0.752824 0.268764 ] [ 0.241517 0.5 0.737723 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "V" "V" "V" "V" "V" "V" "V" "V" "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" 10.43267514 "source-unit" "angstrom" } "b" { "source-value" 6.05349403 "source-unit" "angstrom" } "c" { "source-value" 6.10974101 "source-unit" "angstrom" } "beta" { "source-value" 125.58109483 "source-unit" "degree" } }