{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.219765 0.485276 0.498405 ] [ 0.568439 0.491434 0.854716 ] [ 0.905557 0.526079 0.174812 ] [ 0.780235 0.985276 0.501595 ] [ 0.431561 0.991434 0.145284 ] [ 0.094443 0.026079 0.825188 ] [ 0.036292 0.202148 0.592322 ] [ 0.388871 0.199168 0.939269 ] [ 0.963708 0.702148 0.407678 ] [ 0.611129 0.699168 0.060731 ] [ 0.711283 0.186399 0.272965 ] [ 0.87238 0.306823 0.931713 ] [ 0.541972 0.307993 0.599863 ] [ 0.231639 0.294681 0.270471 ] [ 0.288717 0.686399 0.727035 ] [ 0.12762 0.806823 0.068287 ] [ 0.458028 0.807993 0.400137 ] [ 0.768361 0.794681 0.729529 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 5.74945263 "source-unit" "angstrom" } "b" { "source-value" 4.81172943 "source-unit" "angstrom" } "c" { "source-value" 7.91761794 "source-unit" "angstrom" } "beta" { "source-value" 93.44505285 "source-unit" "degree" } }