{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.001575 0.126776 0.350987 ] [ 0.498425 0.626776 0.149013 ] [ 0.998425 0.873224 0.649013 ] [ 0.501575 0.373224 0.850987 ] [ 0.44012 0.613436 0.42017 ] [ 0.05988 0.113436 0.07983 ] [ 0.55988 0.386564 0.57983 ] [ 0.94012 0.886564 0.92017 ] [ 0.311353 0.393187 0.490823 ] [ 0.188647 0.893187 0.009177 ] [ 0.688647 0.606813 0.509177 ] [ 0.811353 0.106813 0.990823 ] [ 0.274816 0.826744 0.478225 ] [ 0.225184 0.326744 0.021775 ] [ 0.725184 0.173256 0.521775 ] [ 0.774816 0.673256 0.978225 ] [ 0.087028 0.077513 0.842098 ] [ 0.412972 0.577513 0.657902 ] [ 0.912972 0.922487 0.157902 ] [ 0.587028 0.422487 0.342098 ] [ 0.688343 0.896492 0.835622 ] [ 0.811657 0.396492 0.664378 ] [ 0.311657 0.103508 0.164378 ] [ 0.188343 0.603508 0.335622 ] [ 0.078341 0.674115 0.853147 ] [ 0.421659 0.174115 0.646853 ] [ 0.921659 0.325885 0.146853 ] [ 0.578341 0.825885 0.353147 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "As" "As" "As" "As" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.50286255726 "source-unit" "angstrom" } "b" { "source-value" 6.10824859 "source-unit" "angstrom" } "c" { "source-value" 14.1813869387 "source-unit" "angstrom" } "beta" { "source-value" 92.0486991384 "source-unit" "degree" } }