{ "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" [ [ 0.122442 0 0.420461 ] [ 0.754048 0 0.670334 ] [ 0.245952 0 0.329666 ] [ 0.877558 0 0.579539 ] [ 0.622442 0.5 0.420461 ] [ 0.254048 0.5 0.670334 ] [ 0.745952 0.5 0.329666 ] [ 0.377558 0.5 0.579539 ] [ 0.022792 0.5 0.857088 ] [ 0.335441 0 0.230859 ] [ 0.664559 0 0.769141 ] [ 0.977208 0.5 0.142912 ] [ 0.522792 0 0.857088 ] [ 0.835441 0.5 0.230859 ] [ 0.164559 0.5 0.769141 ] [ 0.477208 0 0.142912 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 19.6513646924 "source-unit" "angstrom" } "b" { "source-value" 4.26133513462 "source-unit" "angstrom" } "c" { "source-value" 12.4971832542 "source-unit" "angstrom" } "beta" { "source-value" 138.980290852 "source-unit" "degree" } }