{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.255383 ] [ 0 0.75 0.744617 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.25 0.761914 ] [ 0.5 0 0 ] [ 0 0.75 0.238086 ] [ 0.5 0.25 0.152714 ] [ 0 0.512773 0.86707 ] [ 0.5 0.75 0.621827 ] [ 0 0.515274 0.617744 ] [ 0 0.484726 0.382256 ] [ 0 0.015274 0.382256 ] [ 0.5 0.75 0.394243 ] [ 0.5 0.25 0.378173 ] [ 0 0.487227 0.13293 ] [ 0 0.987227 0.86707 ] [ 0 0.012773 0.13293 ] [ 0.5 0.75 0.847286 ] [ 0.5 0.25 0.605757 ] [ 0 0.984726 0.617744 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 3.82732641 "source-unit" "angstrom" } "b" { "source-value" 7.62174276 "source-unit" "angstrom" } "c" { "source-value" 11.197398 "source-unit" "angstrom" } }