{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.887048 0.341765 0.600626 ] [ 0.112952 0.841765 0.899374 ] [ 0.112952 0.658235 0.399374 ] [ 0.887048 0.158235 0.100626 ] [ 0.357162 0.390683 0.155186 ] [ 0.642838 0.890683 0.344814 ] [ 0.642838 0.609317 0.844814 ] [ 0.357162 0.109317 0.655186 ] [ 0.12455 0.181367 0.476719 ] [ 0.87545 0.681367 0.023281 ] [ 0.87545 0.818633 0.523281 ] [ 0.12455 0.318633 0.976719 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.786934 0.536758 0.645961 ] [ 0.213066 0.036758 0.854039 ] [ 0.613314 0.198424 0.761794 ] [ 0.386686 0.698424 0.738206 ] [ 0.386686 0.801576 0.238206 ] [ 0.613314 0.301576 0.261794 ] [ 0.786934 0.963242 0.145961 ] [ 0.213066 0.463242 0.354039 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "O" "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" 4.56663194736 "source-unit" "angstrom" } "b" { "source-value" 10.10889493 "source-unit" "angstrom" } "c" { "source-value" 5.53036843612 "source-unit" "angstrom" } "beta" { "source-value" 97.3367056798 "source-unit" "degree" } }