{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.97602 0.5 ] [ 0 0.222298 0 ] [ 0 0.47602 0.5 ] [ 0.5 0.722298 0 ] [ 0 0.988756 0.5 ] [ 0.5 0.488756 0.5 ] [ 0.5 0.23866 0 ] [ 0 0.73866 0 ] [ 0.788455 0.86432 0.028051 ] [ 0.729603 0.116338 0.440346 ] [ 0.270397 0.116338 0.559654 ] [ 0.211545 0.86432 0.971949 ] [ 0.288455 0.36432 0.028051 ] [ 0.229603 0.616338 0.440346 ] [ 0.770397 0.616338 0.559654 ] [ 0.711545 0.36432 0.971949 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cd" "Cd" "Sn" "Sn" "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" 9.00357922776 "source-unit" "angstrom" } "b" { "source-value" 10.4983217324 "source-unit" "angstrom" } "c" { "source-value" 6.46666496361 "source-unit" "angstrom" } "beta" { "source-value" 133.795359653 "source-unit" "degree" } }