{ "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" [ [ 0.980443 0 0.002651 ] [ 0.999667 0 0.5002 ] [ 0.743844 0.5 0.777032 ] [ 0.77549 0.5 0.259455 ] [ 0.479357 0 0.504247 ] [ 0.499508 0 0.998034 ] [ 0.240865 0.5 0.725933 ] [ 0.280162 0.5 0.24257 ] [ 0.90538 0.5 0.100143 ] [ 0.850137 0 0.84375 ] [ 0.854961 0 0.357577 ] [ 0.592142 0.5 0.903038 ] [ 0.401569 0.5 0.600632 ] [ 0.40456 0.5 0.089356 ] [ 0.349383 0 0.345021 ] [ 0.143535 0 0.644453 ] [ 0.899849 0.5 0.597057 ] [ 0.653195 0 0.648383 ] [ 0.657355 0 0.164772 ] [ 0.600629 0.5 0.406899 ] [ 0.335686 0 0.840508 ] [ 0.153931 0 0.148115 ] [ 0.100512 0.5 0.901199 ] [ 0.09784 0.5 0.398977 ] ] } "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" 9.48813784 "source-unit" "angstrom" } "b" { "source-value" 3.09240959 "source-unit" "angstrom" } "c" { "source-value" 9.52111386 "source-unit" "angstrom" } "beta" { "source-value" 90.54790263 "source-unit" "degree" } }