{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0 ] [ 0 0.874744 0.5 ] [ 0.747505 0.124061 0 ] [ 0 0.622763 0.5 ] [ 0.252495 0.124061 0 ] [ 0.747505 0.875939 0 ] [ 0 0.377237 0.5 ] [ 0.252495 0.875939 0 ] [ 0 0.125256 0.5 ] [ 0.5 0.374744 0.5 ] [ 0.247505 0.624061 0 ] [ 0.5 0.122763 0.5 ] [ 0.752495 0.624061 0 ] [ 0.247505 0.375939 0 ] [ 0.5 0.877237 0.5 ] [ 0.752495 0.375939 0 ] [ 0.5 0.625256 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Th" "Th" "Th" "Th" "Th" "Th" "O" "O" "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" 7.89495348 "source-unit" "angstrom" } "b" { "source-value" 11.16592626 "source-unit" "angstrom" } "c" { "source-value" 3.94870057 "source-unit" "angstrom" } }