{ "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" [ [ 0.755666 0.5 0.239342 ] [ 0.244334 0.5 0.760658 ] [ 0.255666 0 0.239342 ] [ 0.744334 0 0.760658 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.130295 0.5 0.295224 ] [ 0.869705 0.5 0.704776 ] [ 0.12203 0 0.791352 ] [ 0.87797 0 0.208648 ] [ 0.630295 0 0.295224 ] [ 0.369705 0 0.704776 ] [ 0.62203 0.5 0.791352 ] [ 0.37797 0.5 0.208648 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.9952336235 "source-unit" "angstrom" } "b" { "source-value" 3.69286902966 "source-unit" "angstrom" } "c" { "source-value" 6.3877294338 "source-unit" "angstrom" } "beta" { "source-value" 119.20965328 "source-unit" "degree" } }