{ "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 0.24142 0.25 ] [ 0 0.75858 0.75 ] [ 0 0.105125 0.559547 ] [ 0 0.894875 0.440453 ] [ 0 0.894875 0.059547 ] [ 0 0.105125 0.940453 ] [ 0.5 0.74142 0.25 ] [ 0.5 0.25858 0.75 ] [ 0.5 0.605125 0.559547 ] [ 0.5 0.394875 0.440453 ] [ 0.5 0.394875 0.059547 ] [ 0.5 0.605125 0.940453 ] [ 0 0.052879 0.25 ] [ 0 0.947121 0.75 ] [ 0.5 0.552879 0.25 ] [ 0.5 0.447121 0.75 ] [ 0.5 0.957984 0.25 ] [ 0.5 0.042016 0.75 ] [ 0.5 0.979234 0.904075 ] [ 0.5 0.020766 0.095925 ] [ 0.5 0.020766 0.404075 ] [ 0.5 0.979234 0.595925 ] [ 0.5 0.868937 0.848868 ] [ 0.5 0.131063 0.151132 ] [ 0.5 0.772799 0.967631 ] [ 0.5 0.227201 0.032369 ] [ 0.5 0.227201 0.467631 ] [ 0.5 0.772799 0.532369 ] [ 0.5 0.868937 0.651132 ] [ 0.5 0.131063 0.348868 ] [ 0 0.457984 0.25 ] [ 0 0.542016 0.75 ] [ 0 0.479234 0.904075 ] [ 0 0.520766 0.095925 ] [ 0 0.520766 0.404075 ] [ 0 0.479234 0.595925 ] [ 0 0.368937 0.848868 ] [ 0 0.631063 0.151132 ] [ 0 0.272799 0.967631 ] [ 0 0.727201 0.032369 ] [ 0 0.727201 0.467631 ] [ 0 0.272799 0.532369 ] [ 0 0.368937 0.651132 ] [ 0 0.631063 0.348868 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.41498846 "source-unit" "angstrom" } "b" { "source-value" 15.68736106 "source-unit" "angstrom" } "c" { "source-value" 9.29026782 "source-unit" "angstrom" } }