{ "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" [ [ 0.971028 0 0.004591 ] [ 0.974657 0 0.672887 ] [ 0.967984 0 0.340683 ] [ 0.481157 0.5 0.81208 ] [ 0.5458 0.5 0.506756 ] [ 0.545735 0.5 0.172386 ] [ 0.804279 0.5 0.732304 ] [ 0.810734 0.5 0.399619 ] [ 0.800847 0.5 0.061615 ] [ 0.703745 0 0.231778 ] [ 0.70143 0 0.566634 ] [ 0.293053 0 0.765924 ] [ 0.692154 0 0.897341 ] [ 0.309993 0 0.433882 ] [ 0.303455 0 0.100709 ] [ 0.193673 0.5 0.936448 ] [ 0.198402 0.5 0.597222 ] [ 0.201873 0.5 0.267142 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 4.74314214 "source-unit" "angstrom" } "b" { "source-value" 3.12166012 "source-unit" "angstrom" } "c" { "source-value" 14.1950925 "source-unit" "angstrom" } "beta" { "source-value" 90.15110383 "source-unit" "degree" } }