{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.726194 0.5 0.860046 ] [ 0.138729 0.5 0.725924 ] [ 0.5 0.5 0.5 ] [ 0.861271 0.5 0.274076 ] [ 0.273806 0.5 0.139954 ] [ 0 0 0 ] [ 0.426566 0 0.831478 ] [ 0.834045 0 0.574858 ] [ 0.165955 0 0.425142 ] [ 0.573434 0 0.168522 ] [ 0 0.5 0 ] [ 0.242748 0 0.95749 ] [ 0.429077 0.5 0.819826 ] [ 0.953279 0 0.764265 ] [ 0.606077 0 0.700384 ] [ 0.288731 0 0.610574 ] [ 0.823254 0.5 0.573355 ] [ 0.176746 0.5 0.426645 ] [ 0.711269 0 0.389426 ] [ 0.393923 0 0.299616 ] [ 0.046721 0 0.235735 ] [ 0.570923 0.5 0.180174 ] [ 0.757252 0 0.04251 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.55194144 "source-unit" "angstrom" } "b" { "source-value" 3.88753511 "source-unit" "angstrom" } "c" { "source-value" 8.56540916 "source-unit" "angstrom" } "beta" { "source-value" 90.21723144 "source-unit" "degree" } }