{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.524116 0.579962 0.25 ] [ 0.975884 0.079962 0.25 ] [ 0.475884 0.420038 0.75 ] [ 0.024116 0.920038 0.75 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.31322 0.694638 0.556116 ] [ 0.885225 0.537294 0.75 ] [ 0.81322 0.805362 0.056116 ] [ 0.31322 0.694638 0.943884 ] [ 0.81322 0.805362 0.443884 ] [ 0.114775 0.462706 0.25 ] [ 0.68678 0.305362 0.056116 ] [ 0.18678 0.194638 0.556116 ] [ 0.68678 0.305362 0.443884 ] [ 0.614775 0.037294 0.75 ] [ 0.385225 0.962706 0.25 ] [ 0.18678 0.194638 0.943884 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Co" "Co" "Co" "Co" "O" "O" "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" 5.0672287219 "source-unit" "angstrom" } "b" { "source-value" 5.45033595266 "source-unit" "angstrom" } "c" { "source-value" 7.30563918251 "source-unit" "angstrom" } }