{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.08642 0.345491 0.817562 ] [ 0.556869 0.183849 0.915483 ] [ 0.170414 0.732961 0.638881 ] [ 0.649246 0.55589 0.735489 ] [ 0.27378 0.096275 0.439928 ] [ 0.72622 0.903725 0.560072 ] [ 0.350754 0.44411 0.264511 ] [ 0.829586 0.267039 0.361119 ] [ 0.443131 0.816151 0.084517 ] [ 0.91358 0.654509 0.182438 ] [ 0.168339 0.054812 0.714078 ] [ 0.062166 0.663777 0.906266 ] [ 0.5 0.5 0 ] [ 0.674296 0.224562 0.652532 ] [ 0.240507 0.424218 0.551301 ] [ 0.574868 0.874966 0.828248 ] [ 0.325704 0.775438 0.347468 ] [ 0.425132 0.125034 0.171752 ] [ 0.759493 0.575782 0.448699 ] [ 0.83166 0.945188 0.285922 ] [ 0.937834 0.336223 0.093734 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 5.35378178 "source-unit" "angstrom" } "b" { "source-value" 6.80744177 "source-unit" "angstrom" } "c" { "source-value" 6.8797035 "source-unit" "angstrom" } "alpha" { "source-value" 107.4071648 "source-unit" "degree" } "beta" { "source-value" 98.4174758 "source-unit" "degree" } "gamma" { "source-value" 104.79498454 "source-unit" "degree" } }