{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.887107 0.163651 0.053634 ] [ 0.115044 0.842746 0.966377 ] [ 0.887107 0.836349 0.553634 ] [ 0.194982 0.290311 0.152528 ] [ 0.194982 0.709689 0.652528 ] [ 0.790471 0.659352 0.868192 ] [ 0.115044 0.157254 0.466377 ] [ 0.790471 0.340648 0.368192 ] [ 0.387107 0.663651 0.053634 ] [ 0.615044 0.342746 0.966377 ] [ 0.387107 0.336349 0.553634 ] [ 0.694982 0.790311 0.152528 ] [ 0.694982 0.209689 0.652528 ] [ 0.290471 0.159352 0.868192 ] [ 0.615044 0.657254 0.466377 ] [ 0.290471 0.840648 0.368192 ] [ 0.021614 0.646957 0.253101 ] [ 0.021614 0.353043 0.753101 ] [ 0.521614 0.146957 0.253101 ] [ 0.521614 0.853043 0.753101 ] [ 0.06225 0.950218 0.204049 ] [ 0.185036 0.497824 0.393127 ] [ 0.185036 0.502176 0.893127 ] [ 0.06225 0.049782 0.704049 ] [ 0.851699 0.489324 0.657894 ] [ 0.851699 0.510676 0.157894 ] [ 0.56225 0.450218 0.204049 ] [ 0.685036 0.997824 0.393127 ] [ 0.685036 0.002176 0.893127 ] [ 0.56225 0.549782 0.704049 ] [ 0.351699 0.989324 0.657894 ] [ 0.351699 0.010676 0.157894 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 11.1135039236 "source-unit" "angstrom" } "b" { "source-value" 5.87528908 "source-unit" "angstrom" } "c" { "source-value" 8.24494790594 "source-unit" "angstrom" } "beta" { "source-value" 113.315689499 "source-unit" "degree" } }