{ "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 0.110286 0.75 ] [ 0 0.889714 0.25 ] [ 0.5 0.610286 0.75 ] [ 0.5 0.389714 0.25 ] [ 0.5 0.133972 0.063853 ] [ 0.5 0.866028 0.936147 ] [ 0.5 0.133972 0.436147 ] [ 0.5 0.866028 0.563853 ] [ 0 0.633972 0.063853 ] [ 0 0.366028 0.936147 ] [ 0 0.633972 0.436147 ] [ 0 0.366028 0.563853 ] [ 0 0.836783 0.75 ] [ 0 0.163217 0.25 ] [ 0.5 0.336783 0.75 ] [ 0.5 0.663217 0.25 ] [ 0.5 0.070492 0.25 ] [ 0.5 0.929508 0.75 ] [ 0.5 0.761716 0.109034 ] [ 0.5 0.238284 0.890966 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.761716 0.390966 ] [ 0.5 0.238284 0.609034 ] [ 0 0.570492 0.25 ] [ 0 0.429508 0.75 ] [ 0 0.261716 0.109034 ] [ 0 0.738284 0.890966 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.261716 0.390966 ] [ 0 0.738284 0.609034 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.13989716 "source-unit" "angstrom" } "b" { "source-value" 14.32635998 "source-unit" "angstrom" } "c" { "source-value" 14.43578636 "source-unit" "angstrom" } }