{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.612639 0.612639 0.612639 ] [ 0.887361 0.387361 0.112639 ] [ 0.112639 0.887361 0.387361 ] [ 0.387361 0.112639 0.887361 ] [ 0.000394 0.499606 0.500394 ] [ 0.499606 0.500394 0.000394 ] [ 0.500394 0.000394 0.499606 ] [ 0.999606 0.999606 0.999606 ] [ 0.606857 0.893143 0.106857 ] [ 0.893143 0.106857 0.606857 ] [ 0.106857 0.606857 0.893143 ] [ 0.393143 0.393143 0.393143 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Pd" "Pd" "Pd" "Pd" "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" 6.03348564 "source-unit" "angstrom" } }