{ "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" [ [ 0.993899 0 0.994681 ] [ 0.981506 0 0.669349 ] [ 0.990168 0 0.32648 ] [ 0.770402 0.5 0.836923 ] [ 0.748517 0.5 0.517007 ] [ 0.771085 0.5 0.161719 ] [ 0.499441 0 0.658849 ] [ 0.481793 0 0.997866 ] [ 0.482419 0 0.334566 ] [ 0.246252 0.5 0.849277 ] [ 0.270241 0.5 0.503544 ] [ 0.275175 0.5 0.164594 ] [ 0.901339 0.5 0.72951 ] [ 0.904096 0.5 0.065742 ] [ 0.842064 0 0.898116 ] [ 0.850628 0 0.233998 ] [ 0.851151 0 0.56001 ] [ 0.593349 0.5 0.603505 ] [ 0.406304 0.5 0.062714 ] [ 0.403336 0.5 0.398865 ] [ 0.349678 0 0.894648 ] [ 0.340608 0 0.56836 ] [ 0.348006 0 0.231543 ] [ 0.095708 0.5 0.936467 ] [ 0.903285 0.5 0.397433 ] [ 0.644112 0 0.770195 ] [ 0.656931 0 0.430428 ] [ 0.6529 0 0.099905 ] [ 0.598652 0.5 0.934165 ] [ 0.60086 0.5 0.266746 ] [ 0.399486 0.5 0.732641 ] [ 0.152635 0 0.763361 ] [ 0.153828 0 0.106954 ] [ 0.143506 0 0.431366 ] [ 0.097278 0.5 0.598384 ] [ 0.099366 0.5 0.270091 ] ] } "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" 9.4795467 "source-unit" "angstrom" } "b" { "source-value" 3.10702455 "source-unit" "angstrom" } "c" { "source-value" 14.2131889 "source-unit" "angstrom" } "beta" { "source-value" 90.28482207 "source-unit" "degree" } }