{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.289397 0.405953 0.212225 ] [ 0.289397 0.594047 0.712225 ] [ 0.995153 0.134515 0.531705 ] [ 0.995153 0.865485 0.031705 ] [ 0.812407 0.128661 0.226554 ] [ 0.812407 0.871339 0.726554 ] [ 0.62509 0.881383 0.422865 ] [ 0.62509 0.118617 0.922865 ] [ 0.438016 0.893465 0.111829 ] [ 0.438016 0.106535 0.611829 ] [ 0.177972 0.875885 0.346588 ] [ 0.177972 0.124115 0.846588 ] [ 0.868981 0.527095 0.367423 ] [ 0.868981 0.472905 0.867423 ] [ 0.68586 0.527679 0.055642 ] [ 0.68586 0.472321 0.555642 ] [ 0.032451 0.084338 0.362878 ] [ 0.032451 0.915662 0.862878 ] [ 0.216581 0.111109 0.670593 ] [ 0.216581 0.888891 0.170593 ] [ 0.407353 0.077196 0.976001 ] [ 0.407353 0.922804 0.476001 ] [ 0.614023 0.99992 0.262829 ] [ 0.614023 0.00008 0.762829 ] [ 0.826517 0.963253 0.562912 ] [ 0.826517 0.036747 0.062912 ] [ 0.775198 0.382925 0.211517 ] [ 0.775198 0.617075 0.711517 ] [ 0.073978 0.658581 0.369489 ] [ 0.073978 0.341419 0.869489 ] [ 0.487171 0.666966 0.057247 ] [ 0.487171 0.333034 0.557247 ] [ 0.897091 0.632436 0.014941 ] [ 0.897091 0.367564 0.514941 ] [ 0.651202 0.369304 0.905003 ] [ 0.651202 0.630696 0.405003 ] ] } "species" { "source-value" [ "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.92471956492 "source-unit" "angstrom" } "b" { "source-value" 6.77018996 "source-unit" "angstrom" } "c" { "source-value" 9.69746368583 "source-unit" "angstrom" } "beta" { "source-value" 106.174719729 "source-unit" "degree" } }