{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0 0.375769 ] [ 0 0 0.121336 ] [ 0 0 0.878664 ] [ 0 0.5 0.238754 ] [ 0 0.5 0.761246 ] [ 0.5 0 0.624231 ] [ 0.5 0.5 0.916481 ] [ 0.5 0 0.195622 ] [ 0 0 0.693946 ] [ 0.5 0 0.804378 ] [ 0.5 0.5 0.083519 ] [ 0 0 0.306054 ] [ 0 0.5 0.416244 ] [ 0 0.5 0.583756 ] ] } "species" { "source-value" [ "Zn" "Zn" "B" "B" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.81461842 "source-unit" "angstrom" } "b" { "source-value" 2.84518368 "source-unit" "angstrom" } "c" { "source-value" 23.50385405 "source-unit" "angstrom" } }