{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.495245 0.986932 0.336693 ] [ 0.504755 0.013068 0.663307 ] [ 0.618633 0.25 0.008956 ] [ 0.864725 0.25 0.324376 ] [ 0.247627 0.25 0.165369 ] [ 0.216911 0.25 0.4991 ] [ 0.246434 0.25 0.834355 ] [ 0 0.5 0 ] [ 0.504755 0.486932 0.663307 ] [ 0.495245 0.513068 0.336693 ] [ 0.381367 0.75 0.991044 ] [ 0.753566 0.75 0.165645 ] [ 0.783089 0.75 0.5009 ] [ 0.135275 0.75 0.675624 ] [ 0.752373 0.75 0.834631 ] [ 0.868757 0.25 0.671814 ] [ 0.131243 0.75 0.328186 ] [ 0.248813 0.010553 0.988763 ] [ 0.740049 0.985898 0.327215 ] [ 0.755157 0.02343 0.668652 ] [ 0.003659 0.25 0.162396 ] [ 0.490567 0.25 0.182402 ] [ 0.470709 0.25 0.491998 ] [ 0.971866 0.25 0.516931 ] [ 0.992762 0.25 0.814102 ] [ 0.49217 0.25 0.828702 ] [ 0.740049 0.514102 0.327215 ] [ 0.755157 0.47657 0.668652 ] [ 0.248813 0.489447 0.988763 ] [ 0.751187 0.510553 0.011237 ] [ 0.244843 0.52343 0.331348 ] [ 0.259951 0.485898 0.672785 ] [ 0.50783 0.75 0.171298 ] [ 0.529291 0.75 0.508002 ] [ 0.007238 0.75 0.185898 ] [ 0.028134 0.75 0.483069 ] [ 0.509433 0.75 0.817598 ] [ 0.996341 0.75 0.837604 ] [ 0.259951 0.014102 0.672785 ] [ 0.244843 0.97657 0.331348 ] [ 0.751187 0.989447 0.011237 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.48437632 "source-unit" "angstrom" } "b" { "source-value" 6.00298381 "source-unit" "angstrom" } "c" { "source-value" 9.11982281 "source-unit" "angstrom" } "beta" { "source-value" 90.71514334 "source-unit" "degree" } }