{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.837413 0.839053 0.019574 ] [ 0.162587 0.160947 0.519574 ] [ 0.162587 0.839053 0.519574 ] [ 0.837413 0.160947 0.019574 ] [ 0.337413 0.339053 0.019574 ] [ 0.662587 0.660947 0.519574 ] [ 0.662587 0.339053 0.519574 ] [ 0.337413 0.660947 0.019574 ] [ 0.331558 0 0.989312 ] [ 0.668442 0 0.489312 ] [ 0.831558 0.5 0.989312 ] [ 0.168442 0.5 0.489312 ] [ 0.822171 0.838108 0.394444 ] [ 0.177829 0.161892 0.894444 ] [ 0.655827 0 0.861652 ] [ 0.344173 0 0.361652 ] [ 0.822171 0.161892 0.394444 ] [ 0.177829 0.838108 0.894444 ] [ 0.322171 0.338108 0.394444 ] [ 0.677829 0.661892 0.894444 ] [ 0.155827 0.5 0.861652 ] [ 0.844173 0.5 0.361652 ] [ 0.322171 0.661892 0.394444 ] [ 0.677829 0.338108 0.894444 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.39263582 "source-unit" "angstrom" } "b" { "source-value" 10.98340201 "source-unit" "angstrom" } "c" { "source-value" 6.0805972 "source-unit" "angstrom" } }