{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Im2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.73945 0.829693 ] [ 0 0.73945 0.170307 ] [ 0.5 0.23945 0.329693 ] [ 0.5 0.23945 0.670307 ] [ 0.5 0.266153 0 ] [ 0 0.766153 0.5 ] [ 0.5 0.51875 0.18029 ] [ 0.5 0.51875 0.81971 ] [ 0 0.959448 0 ] [ 0 0.01875 0.68029 ] [ 0 0.01875 0.31971 ] [ 0.5 0.459448 0.5 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.40991030401 "source-unit" "angstrom" } "b" { "source-value" 6.11366797386 "source-unit" "angstrom" } "c" { "source-value" 13.0935458449 "source-unit" "angstrom" } }