{ "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" [ [ 0.012846 0.945822 0.75 ] [ 0.512846 0.554178 0.25 ] [ 0.487154 0.445822 0.75 ] [ 0.987154 0.054178 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.706009 0.293887 0.454774 ] [ 0.206009 0.206113 0.545226 ] [ 0.793991 0.793887 0.045226 ] [ 0.293991 0.706113 0.954774 ] [ 0.293991 0.706113 0.545226 ] [ 0.793991 0.793887 0.454774 ] [ 0.206009 0.206113 0.954774 ] [ 0.706009 0.293887 0.045226 ] [ 0.085779 0.477039 0.25 ] [ 0.585779 0.022961 0.75 ] [ 0.414221 0.977039 0.25 ] [ 0.914221 0.522961 0.75 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Al" "Al" "Al" "Al" "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" 5.22651579 "source-unit" "angstrom" } "b" { "source-value" 5.3872055 "source-unit" "angstrom" } "c" { "source-value" 7.45329932 "source-unit" "angstrom" } }