{ "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" [ [ 0.528908 0 0.226961 ] [ 0.469197 0.5 0.772096 ] [ 0.032372 0.5 0.273626 ] [ 0.955337 0 0.723768 ] [ 0.917137 0.5 0.596827 ] [ 0.581272 0.5 0.09542 ] [ 0.423264 0 0.90153 ] [ 0.080561 0 0.407472 ] [ 0.84636 0.5 0.446447 ] [ 0.766422 0.700651 0.671821 ] [ 0.766422 0.299349 0.671821 ] [ 0.768579 0 0.384113 ] [ 0.737834 0 0.888143 ] [ 0.726024 0.702712 0.170901 ] [ 0.726024 0.297288 0.170901 ] [ 0.654636 0.5 0.94565 ] [ 0.347372 0 0.051818 ] [ 0.281484 0.203916 0.826848 ] [ 0.281484 0.796084 0.826848 ] [ 0.269391 0.5 0.11615 ] [ 0.228939 0.5 0.616439 ] [ 0.225008 0.202305 0.329378 ] [ 0.225008 0.797695 0.329378 ] [ 0.160966 0 0.555642 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Cu" "P" "P" "P" "P" "O" "O" "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" 4.85071332 "source-unit" "angstrom" } "b" { "source-value" 5.91077295 "source-unit" "angstrom" } "c" { "source-value" 9.91898021 "source-unit" "angstrom" } "beta" { "source-value" 90.02526524 "source-unit" "degree" } }