{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.010135 0 0.007578 ] [ 0.505763 0 0.01075 ] [ 0.757605 0.5 0.149205 ] [ 0.255207 0.5 0.149635 ] [ 0.010262 0 0.341297 ] [ 0.506912 0 0.34339 ] [ 0.256052 0.5 0.48742 ] [ 0.725416 0.5 0.505622 ] [ 0.005324 0 0.679623 ] [ 0.513687 0 0.674187 ] [ 0.754543 0.5 0.820762 ] [ 0.225724 0.5 0.839699 ] [ 0.598221 0.5 0.063031 ] [ 0.095824 0.5 0.067424 ] [ 0.851988 0 0.101045 ] [ 0.348382 0 0.099418 ] [ 0.602482 0.5 0.394869 ] [ 0.093981 0.5 0.39902 ] [ 0.348868 0 0.433795 ] [ 0.647294 0 0.567328 ] [ 0.59077 0.5 0.736143 ] [ 0.1007 0.5 0.728963 ] [ 0.846126 0 0.766131 ] [ 0.147721 0 0.900892 ] [ 0.653692 0 0.230468 ] [ 0.150662 0 0.232763 ] [ 0.901687 0.5 0.271016 ] [ 0.401669 0.5 0.26651 ] [ 0.84577 0 0.434981 ] [ 0.151555 0 0.563218 ] [ 0.904877 0.5 0.596171 ] [ 0.394018 0.5 0.604877 ] [ 0.344491 0 0.769784 ] [ 0.652037 0 0.898385 ] [ 0.894866 0.5 0.933794 ] [ 0.405693 0.5 0.930808 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.48212756 "source-unit" "angstrom" } "b" { "source-value" 3.11084657 "source-unit" "angstrom" } "c" { "source-value" 14.17184976 "source-unit" "angstrom" } "beta" { "source-value" 90.00765841 "source-unit" "degree" } }