{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.761639 0.25 0.75 ] [ 0.238361 0.75 0.25 ] [ 0.6245 0.25 0.25 ] [ 0.3755 0.75 0.75 ] [ 0.246236 0.985698 0.75 ] [ 0.756237 0.25 0.935066 ] [ 0.243763 0.75 0.064934 ] [ 0.756237 0.25 0.564934 ] [ 0.324163 0.25 0.25 ] [ 0.753764 0.485698 0.25 ] [ 0.675837 0.75 0.75 ] [ 0.753764 0.014302 0.25 ] [ 0.246236 0.514302 0.75 ] [ 0.243763 0.75 0.435066 ] ] } "species" { "source-value" [ "U" "U" "C" "C" "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" 4.34858985 "source-unit" "angstrom" } "b" { "source-value" 4.89102579 "source-unit" "angstrom" } "c" { "source-value" 9.66548348 "source-unit" "angstrom" } }