{ "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" [ [ 0.225604 0.5 0.810366 ] [ 0.07742 0 0.089413 ] [ 0.408518 0.5 0.396953 ] [ 0.539863 0 0.135882 ] [ 0.149852 0 0.55083 ] [ 0.757189 0.5 0.757455 ] [ 0.737029 0 0.099374 ] [ 0.11095 0 0.744097 ] [ 0.420816 0.222444 0.147403 ] [ 0.163541 0.22334 0.441784 ] [ 0.764843 0.5 0.543472 ] [ 0.945792 0.5 0.931736 ] [ 0.536811 0.5 0.763625 ] [ 0.420816 0.777556 0.147403 ] [ 0.163541 0.77666 0.441784 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.87377571 "source-unit" "angstrom" } "b" { "source-value" 4.98359998 "source-unit" "angstrom" } "c" { "source-value" 6.08272046 "source-unit" "angstrom" } "beta" { "source-value" 108.41708122 "source-unit" "degree" } }