{ "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 0.933327 0.25 ] [ 0 0.066673 0.75 ] [ 0.5 0.433327 0.25 ] [ 0.5 0.566673 0.75 ] [ 0.5 0.856443 0.55285 ] [ 0.5 0.143557 0.44715 ] [ 0.5 0.856443 0.94715 ] [ 0.5 0.143557 0.05285 ] [ 0 0.356443 0.55285 ] [ 0 0.643557 0.44715 ] [ 0 0.356443 0.94715 ] [ 0 0.643557 0.05285 ] [ 0 0.782706 0.75 ] [ 0 0.217294 0.25 ] [ 0.5 0.282706 0.75 ] [ 0.5 0.717294 0.25 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "In" "In" "In" "In" "In" "In" "In" "In" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.486163 "source-unit" "angstrom" } "b" { "source-value" 10.25070948 "source-unit" "angstrom" } "c" { "source-value" 7.958353 "source-unit" "angstrom" } }