{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.821177 0.148873 ] [ 0 0.321177 0.351127 ] [ 0 0.678823 0.648873 ] [ 0.5 0.178823 0.851127 ] [ 0.5 0.813509 0.413734 ] [ 0 0.313509 0.086266 ] [ 0.5 0.186491 0.586266 ] [ 0 0.686491 0.913734 ] [ 0 0.171866 0.689212 ] [ 0.5 0.671866 0.810788 ] [ 0 0.828134 0.310788 ] [ 0 0 0 ] [ 0.5 0.328134 0.189212 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Al" "Al" "Al" "Al" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.51338814 "source-unit" "angstrom" } "b" { "source-value" 5.43262018 "source-unit" "angstrom" } "c" { "source-value" 11.59014172 "source-unit" "angstrom" } }