{ "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" [ [ 0.796888 0.006147 0.063084 ] [ 0.770658 0.017583 0.812121 ] [ 0.778131 0.025496 0.561659 ] [ 0.73226 0.943553 0.312911 ] [ 0.26774 0.443553 0.687089 ] [ 0.229342 0.517583 0.187879 ] [ 0.203112 0.506147 0.936916 ] [ 0.221869 0.525496 0.438341 ] [ 0.940958 0.817769 0.935031 ] [ 0.93026 0.808394 0.440132 ] [ 0.93608 0.804507 0.188088 ] [ 0.06392 0.304507 0.811912 ] [ 0.06974 0.308394 0.559868 ] [ 0.059042 0.317769 0.064969 ] [ 0.42403 0.680442 0.313205 ] [ 0.57597 0.180442 0.686795 ] [ 0.96544 0.797008 0.686824 ] [ 0.03456 0.297008 0.313176 ] [ 0.453109 0.694055 0.811333 ] [ 0.453452 0.696411 0.564457 ] [ 0.445484 0.708637 0.060623 ] [ 0.546548 0.196411 0.435543 ] [ 0.546891 0.194055 0.188667 ] [ 0.554516 0.208637 0.939377 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 4.74337011 "source-unit" "angstrom" } "b" { "source-value" 4.75743217 "source-unit" "angstrom" } "c" { "source-value" 12.29049064 "source-unit" "angstrom" } "beta" { "source-value" 90.00224221 "source-unit" "degree" } }