{ "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" [ [ 0.996161 0 0.012851 ] [ 0.49144 0 0.009667 ] [ 0.247402 0.5 0.152568 ] [ 0.743412 0.5 0.15077 ] [ 0.99458 0 0.34402 ] [ 0.495508 0 0.343907 ] [ 0.744611 0.5 0.485113 ] [ 0.246821 0.5 0.485001 ] [ 0.992183 0 0.676968 ] [ 0.49482 0 0.680002 ] [ 0.276667 0.5 0.84152 ] [ 0.745303 0.5 0.8218 ] [ 0.405637 0.5 0.068205 ] [ 0.902389 0.5 0.063436 ] [ 0.152958 0 0.101028 ] [ 0.651524 0 0.100239 ] [ 0.402667 0.5 0.397119 ] [ 0.901711 0.5 0.397586 ] [ 0.150223 0 0.435451 ] [ 0.652005 0 0.434424 ] [ 0.399017 0.5 0.729752 ] [ 0.908262 0.5 0.73355 ] [ 0.655091 0 0.766451 ] [ 0.354191 0 0.901284 ] [ 0.348297 0 0.232739 ] [ 0.847575 0 0.231793 ] [ 0.097735 0.5 0.267116 ] [ 0.597316 0.5 0.267577 ] [ 0.347934 0 0.564415 ] [ 0.850551 0 0.566574 ] [ 0.100701 0.5 0.60534 ] [ 0.598907 0.5 0.600552 ] [ 0.154973 0 0.769596 ] [ 0.849788 0 0.897014 ] [ 0.095613 0.5 0.930659 ] [ 0.606028 0.5 0.933909 ] ] } "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" 9.5130544 "source-unit" "angstrom" } "b" { "source-value" 3.10834584 "source-unit" "angstrom" } "c" { "source-value" 14.15402243 "source-unit" "angstrom" } "beta" { "source-value" 90.09346931 "source-unit" "degree" } }