{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.163768 ] [ 0.5 0.5 0.836232 ] [ 0 0 0.663768 ] [ 0 0 0.336232 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.762017 0.148456 ] [ 0.5 0.77733 0 ] [ 0 0.237983 0.148456 ] [ 0 0.762017 0.851544 ] [ 0.5 0.22267 0 ] [ 0 0.237983 0.851544 ] [ 0.5 0.262017 0.648456 ] [ 0 0.27733 0.5 ] [ 0.5 0.737983 0.648456 ] [ 0.5 0.262017 0.351544 ] [ 0 0.72267 0.5 ] [ 0.5 0.737983 0.351544 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "U" "U" "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" 3.98073933 "source-unit" "angstrom" } "b" { "source-value" 5.59080865 "source-unit" "angstrom" } "c" { "source-value" 11.51938977 "source-unit" "angstrom" } }