{ "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" [ [ 0.208765 0.5 0.266512 ] [ 0.791235 0.5 0.733488 ] [ 0.883421 0 0.127473 ] [ 0.116579 0 0.872527 ] [ 0.708765 0 0.266512 ] [ 0.291235 0 0.733488 ] [ 0.383421 0.5 0.127473 ] [ 0.616579 0.5 0.872527 ] [ 0.893365 0.5 0.558591 ] [ 0 0 0 ] [ 0.106635 0.5 0.441409 ] [ 0.393365 0 0.558591 ] [ 0.5 0.5 0 ] [ 0.606635 0 0.441409 ] [ 0.786614 0.5 0.935461 ] [ 0.213386 0.5 0.064539 ] [ 0.286614 0 0.935461 ] [ 0.713386 0 0.064539 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Se" "Se" "Se" "Se" "Se" "Se" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.9468540408 "source-unit" "angstrom" } "b" { "source-value" 3.95288908452 "source-unit" "angstrom" } "c" { "source-value" 10.4593584012 "source-unit" "angstrom" } "beta" { "source-value" 140.162620829 "source-unit" "degree" } }