{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.747076 0.679928 ] [ 0.75 0.252924 0.320072 ] [ 0.25 0.247076 0.820072 ] [ 0.75 0.752924 0.179928 ] [ 0.75 0.402773 0.047399 ] [ 0.25 0.597227 0.952601 ] [ 0.25 0.097227 0.547399 ] [ 0.75 0.902773 0.452601 ] [ 0.75 0.945765 0.879979 ] [ 0.25 0.054235 0.120021 ] [ 0.75 0.445765 0.620021 ] [ 0.25 0.554235 0.379979 ] [ 0.75 0.650177 0.465186 ] [ 0.25 0.349823 0.534814 ] [ 0.25 0.849823 0.965186 ] [ 0.75 0.150177 0.034814 ] [ 0.75 0.525622 0.837767 ] [ 0.25 0.474378 0.162233 ] [ 0.75 0.025622 0.662233 ] [ 0.25 0.974378 0.337767 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.56016695 "source-unit" "angstrom" } "b" { "source-value" 10.71026479 "source-unit" "angstrom" } "c" { "source-value" 11.76650458 "source-unit" "angstrom" } }