{ "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" [ [ 0.990137 0 0.006338 ] [ 0.503605 0 0.004894 ] [ 0.251671 0.5 0.144056 ] [ 0.746958 0.5 0.149221 ] [ 0.990574 0 0.34079 ] [ 0.49827 0 0.338373 ] [ 0.743162 0.5 0.483392 ] [ 0.286485 0.5 0.498281 ] [ 0.008343 0 0.673174 ] [ 0.484153 0 0.676574 ] [ 0.246271 0.5 0.823729 ] [ 0.746813 0.5 0.860681 ] [ 0.402586 0.5 0.06065 ] [ 0.905389 0.5 0.067027 ] [ 0.150558 0 0.099251 ] [ 0.650302 0 0.106519 ] [ 0.407061 0.5 0.39342 ] [ 0.904713 0.5 0.40188 ] [ 0.646844 0 0.431736 ] [ 0.35175 0 0.567548 ] [ 0.398313 0.5 0.737594 ] [ 0.152789 0 0.764025 ] [ 0.854663 0 0.899913 ] [ 0.591054 0.5 0.936387 ] [ 0.352756 0 0.234155 ] [ 0.849157 0 0.235308 ] [ 0.095341 0.5 0.273676 ] [ 0.595405 0.5 0.27286 ] [ 0.15566 0 0.436041 ] [ 0.848383 0 0.567148 ] [ 0.090146 0.5 0.597546 ] [ 0.60262 0.5 0.606126 ] [ 0.900662 0.5 0.726664 ] [ 0.655197 0 0.767451 ] [ 0.336524 0 0.891062 ] [ 0.105683 0.5 0.926516 ] ] } "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" 9.4818961 "source-unit" "angstrom" } "b" { "source-value" 3.08417351 "source-unit" "angstrom" } "c" { "source-value" 14.09506321 "source-unit" "angstrom" } "beta" { "source-value" 90.92380749 "source-unit" "degree" } }