{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.792422 ] [ 0.5 0 0.207578 ] [ 0 0.5 0.292422 ] [ 0 0.5 0.707578 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.771852 0.134523 ] [ 0 0.228148 0.865477 ] [ 0 0.771852 0.865477 ] [ 0 0.228148 0.134523 ] [ 0 0.5 0.5 ] [ 0.5 0.271852 0.634523 ] [ 0.5 0.728148 0.365477 ] [ 0.5 0.271852 0.365477 ] [ 0.5 0.728148 0.634523 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Ba" "Ba" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.79854378768 "source-unit" "angstrom" } "b" { "source-value" 5.71701212635 "source-unit" "angstrom" } "c" { "source-value" 10.8449628886 "source-unit" "angstrom" } }