{ "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 0.799731 0 ] [ 0 0.200269 0 ] [ 0.5 0.299731 0 ] [ 0.5 0.700269 0 ] [ 0.310609 0.860423 0 ] [ 0.689391 0.139577 0 ] [ 0 0 0 ] [ 0.310609 0.139577 0 ] [ 0.689391 0.860423 0 ] [ 0.810609 0.360423 0 ] [ 0.189391 0.639577 0 ] [ 0.5 0.5 0 ] [ 0.810609 0.639577 0 ] [ 0.189391 0.360423 0 ] [ 0 0.799364 0.5 ] [ 0 0.200636 0.5 ] [ 0.5 0.299364 0.5 ] [ 0.5 0.700636 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.49202191433 "source-unit" "angstrom" } "b" { "source-value" 13.8230683975 "source-unit" "angstrom" } "c" { "source-value" 4.13086104 "source-unit" "angstrom" } }