{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.457623 0.042377 0.957623 ] [ 0.820843 0.179157 0.679157 ] [ 0.179157 0.679157 0.820843 ] [ 0.957623 0.457623 0.042377 ] [ 0.679157 0.820843 0.179157 ] [ 0.320843 0.320843 0.320843 ] [ 0.042377 0.957623 0.457623 ] [ 0.542377 0.542377 0.542377 ] [ 0.887607 0.612393 0.387607 ] [ 0.112393 0.112393 0.112393 ] [ 0.337211 0.662789 0.162789 ] [ 0.837211 0.837211 0.837211 ] [ 0.162789 0.337211 0.662789 ] [ 0.662789 0.162789 0.337211 ] [ 0.612393 0.387607 0.887607 ] [ 0.387607 0.887607 0.612393 ] [ 0.198722 0.623982 0.473513 ] [ 0.876018 0.526487 0.698722 ] [ 0.301278 0.376018 0.973513 ] [ 0.801278 0.123982 0.026487 ] [ 0.473513 0.198722 0.623982 ] [ 0.026487 0.801278 0.123982 ] [ 0.698722 0.876018 0.526487 ] [ 0.623982 0.473513 0.198722 ] [ 0.973513 0.301278 0.376018 ] [ 0.526487 0.698722 0.876018 ] [ 0.376018 0.973513 0.301278 ] [ 0.123982 0.026487 0.801278 ] [ 0.983495 0.457707 0.329318 ] [ 0.39704 0.819487 0.254699 ] [ 0.945026 0.77544 0.983294 ] [ 0.548702 0.287874 0.737784 ] [ 0.212126 0.262216 0.048702 ] [ 0.329318 0.983495 0.457707 ] [ 0.054974 0.27544 0.516706 ] [ 0.254699 0.39704 0.819487 ] [ 0.483294 0.554974 0.22456 ] [ 0.237784 0.951298 0.712126 ] [ 0.542293 0.829318 0.516505 ] [ 0.670682 0.483495 0.042293 ] [ 0.745301 0.89704 0.680513 ] [ 0.016505 0.957707 0.170682 ] [ 0.22456 0.483294 0.554974 ] [ 0.754699 0.10296 0.180513 ] [ 0.516505 0.542293 0.829318 ] [ 0.737784 0.548702 0.287874 ] [ 0.951298 0.712126 0.237784 ] [ 0.983294 0.945026 0.77544 ] [ 0.77544 0.983294 0.945026 ] [ 0.170682 0.016505 0.957707 ] [ 0.245301 0.60296 0.319487 ] [ 0.457707 0.329318 0.983495 ] [ 0.180513 0.754699 0.10296 ] [ 0.048702 0.212126 0.262216 ] [ 0.445026 0.72456 0.016706 ] [ 0.319487 0.245301 0.60296 ] [ 0.451298 0.787874 0.762216 ] [ 0.262216 0.048702 0.212126 ] [ 0.680513 0.745301 0.89704 ] [ 0.957707 0.170682 0.016505 ] [ 0.787874 0.762216 0.451298 ] [ 0.016706 0.445026 0.72456 ] [ 0.712126 0.237784 0.951298 ] [ 0.042293 0.670682 0.483495 ] [ 0.554974 0.22456 0.483294 ] [ 0.287874 0.737784 0.548702 ] [ 0.89704 0.680513 0.745301 ] [ 0.516706 0.054974 0.27544 ] [ 0.762216 0.451298 0.787874 ] [ 0.10296 0.180513 0.754699 ] [ 0.829318 0.516505 0.542293 ] [ 0.483495 0.042293 0.670682 ] [ 0.27544 0.516706 0.054974 ] [ 0.819487 0.254699 0.39704 ] [ 0.72456 0.016706 0.445026 ] [ 0.60296 0.319487 0.245301 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 11.0211716667 "source-unit" "angstrom" } }