{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.244007 0.5 0.692861 ] [ 0.755993 0.5 0.307139 ] [ 0.744007 0 0.692861 ] [ 0.255993 0 0.307139 ] [ 0.860068 0.5 0.019216 ] [ 0.112703 0 0.456706 ] [ 0.887297 0 0.543294 ] [ 0.139932 0.5 0.980784 ] [ 0.360068 0 0.019216 ] [ 0.612703 0.5 0.456706 ] [ 0.387297 0.5 0.543294 ] [ 0.639932 0 0.980784 ] ] } "species" { "source-value" [ "Cr" "Cr" "Fe" "Fe" "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" 12.8092826356 "source-unit" "angstrom" } "b" { "source-value" 3.52689880021 "source-unit" "angstrom" } "c" { "source-value" 6.1938054095 "source-unit" "angstrom" } "beta" { "source-value" 116.974588813 "source-unit" "degree" } }