{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.361926 0.75 ] [ 0 0.638074 0.25 ] [ 0.5 0.861926 0.75 ] [ 0.5 0.138074 0.25 ] [ 0 0.998097 0.75 ] [ 0 0.001903 0.25 ] [ 0.5 0.498097 0.75 ] [ 0.5 0.501903 0.25 ] [ 0.196206 0.887202 0.099456 ] [ 0.803794 0.887202 0.400544 ] [ 0.803794 0.112798 0.900544 ] [ 0.196206 0.112798 0.599456 ] [ 0.696206 0.387202 0.099456 ] [ 0.303794 0.387202 0.400544 ] [ 0.303794 0.612798 0.900544 ] [ 0.696206 0.612798 0.599456 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "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" 7.3215375 "source-unit" "angstrom" } "b" { "source-value" 11.71778363 "source-unit" "angstrom" } "c" { "source-value" 5.61902964 "source-unit" "angstrom" } "beta" { "source-value" 112.49192534 "source-unit" "degree" } }