{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.328335 0.5 0.315607 ] [ 0.671665 0.5 0.684393 ] [ 0.828335 0 0.315607 ] [ 0.171665 0 0.684393 ] [ 0.977028 0 0.819748 ] [ 0.022972 0 0.180252 ] [ 0.477028 0.5 0.819748 ] [ 0.522972 0.5 0.180252 ] [ 0.869131 0 0.907423 ] [ 0.039124 0.5 0.322748 ] [ 0.960876 0.5 0.677252 ] [ 0.130869 0 0.092577 ] [ 0.369131 0.5 0.907423 ] [ 0.539124 0 0.322748 ] [ 0.460876 0 0.677252 ] [ 0.630869 0.5 0.092577 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Fe" "Fe" "Fe" "Fe" "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" 12.85504818 "source-unit" "angstrom" } "b" { "source-value" 3.23809895 "source-unit" "angstrom" } "c" { "source-value" 8.38709978 "source-unit" "angstrom" } "beta" { "source-value" 127.28402695 "source-unit" "degree" } }