{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.420001 0.162072 0.846634 ] [ 0.579999 0.837928 0.153366 ] [ 0.811354 0.832115 0.963458 ] [ 0.311354 0.167885 0.463458 ] [ 0.587554 0.328345 0.651801 ] [ 0.688646 0.832115 0.536542 ] [ 0.920001 0.837928 0.346634 ] [ 0.25 0.187698 0.25 ] [ 0.079999 0.162072 0.653366 ] [ 0.912446 0.328345 0.848199 ] [ 0.087554 0.671655 0.151801 ] [ 0.312537 0.665407 0.963063 ] [ 0.188646 0.167885 0.036542 ] [ 0.812537 0.334593 0.463063 ] [ 0.687463 0.334593 0.036937 ] [ 0.187463 0.665407 0.536937 ] [ 0.75 0.812302 0.75 ] [ 0.412446 0.671655 0.348199 ] [ 0.25 0.67495 0.75 ] [ 0.75 0.32505 0.25 ] [ 0.080314 0.440319 0.364109 ] [ 0.419686 0.440319 0.135891 ] [ 0.082178 0.932287 0.862441 ] [ 0.582178 0.067713 0.362441 ] [ 0.417822 0.932287 0.637559 ] [ 0.919686 0.559681 0.635891 ] [ 0.917822 0.067713 0.137559 ] [ 0.580314 0.559681 0.864109 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.00411724541 "source-unit" "angstrom" } "b" { "source-value" 4.52289404761 "source-unit" "angstrom" } "c" { "source-value" 11.5693743768 "source-unit" "angstrom" } "beta" { "source-value" 97.5625258184 "source-unit" "degree" } }