{ "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" [ [ 0.007243 0 0.004826 ] [ 0.495715 0 0.007119 ] [ 0.250031 0.5 0.153921 ] [ 0.718098 0.5 0.166981 ] [ 0.992173 0 0.347972 ] [ 0.516579 0 0.337585 ] [ 0.74644 0.5 0.487832 ] [ 0.223094 0.5 0.502697 ] [ 0.003233 0 0.66908 ] [ 0.502334 0 0.675909 ] [ 0.286006 0.5 0.835879 ] [ 0.753597 0.5 0.815931 ] [ 0.404725 0.5 0.06857 ] [ 0.146031 0 0.098555 ] [ 0.656289 0 0.097504 ] [ 0.588755 0.5 0.269935 ] [ 0.892173 0.5 0.397654 ] [ 0.151377 0 0.434142 ] [ 0.653655 0 0.436446 ] [ 0.09786 0.5 0.606812 ] [ 0.406413 0.5 0.726958 ] [ 0.910172 0.5 0.733697 ] [ 0.657037 0 0.766511 ] [ 0.354854 0 0.90279 ] [ 0.90174 0.5 0.062595 ] [ 0.33605 0 0.233344 ] [ 0.848897 0 0.227057 ] [ 0.091832 0.5 0.267154 ] [ 0.398869 0.5 0.399274 ] [ 0.351832 0 0.563405 ] [ 0.840201 0 0.559049 ] [ 0.601702 0.5 0.5959 ] [ 0.159555 0 0.777044 ] [ 0.855817 0 0.903176 ] [ 0.093456 0.5 0.932908 ] [ 0.606164 0.5 0.93379 ] ] } "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" 9.46607845 "source-unit" "angstrom" } "b" { "source-value" 3.08564731 "source-unit" "angstrom" } "c" { "source-value" 14.23565644 "source-unit" "angstrom" } "beta" { "source-value" 90.05805059 "source-unit" "degree" } }