{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.758357 0.25 ] [ 0.5 0.241643 0.75 ] [ 0 0.258357 0.25 ] [ 0 0.741643 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.034915 0.25 ] [ 0.5 0.965085 0.75 ] [ 0 0.534915 0.25 ] [ 0 0.465085 0.75 ] [ 0.5 0.117666 0.059474 ] [ 0 0.944721 0.25 ] [ 0.5 0.117666 0.440526 ] [ 0.5 0.882334 0.559474 ] [ 0 0.055279 0.75 ] [ 0.5 0.882334 0.940526 ] [ 0 0.617666 0.059474 ] [ 0.5 0.444721 0.25 ] [ 0 0.617666 0.440526 ] [ 0 0.382334 0.559474 ] [ 0.5 0.555279 0.75 ] [ 0 0.382334 0.940526 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Np" "Np" "Np" "Np" "Cu" "Cu" "Cu" "Cu" "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" 4.01135493 "source-unit" "angstrom" } "b" { "source-value" 14.59079362 "source-unit" "angstrom" } "c" { "source-value" 10.2660855 "source-unit" "angstrom" } }