{ "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" [ [ 0.861475 0 0.440406 ] [ 0.138525 0 0.559594 ] [ 0.361475 0.5 0.440406 ] [ 0.638525 0.5 0.559594 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.821251 0.5 0.013619 ] [ 0.178749 0.5 0.986381 ] [ 0.321251 0 0.013619 ] [ 0.678749 0 0.986381 ] [ 0.795806 0 0.798841 ] [ 0.204194 0 0.201159 ] [ 0.99012 0.5 0.248782 ] [ 0.00988 0.5 0.751218 ] [ 0.295806 0.5 0.798841 ] [ 0.704194 0.5 0.201159 ] [ 0.49012 0 0.248782 ] [ 0.50988 0 0.751218 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "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" 13.7445559979 "source-unit" "angstrom" } "b" { "source-value" 3.74046239987 "source-unit" "angstrom" } "c" { "source-value" 7.08947678564 "source-unit" "angstrom" } "beta" { "source-value" 112.326631111 "source-unit" "degree" } }