{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.02436 ] [ 0.666667 0.333333 0.357693 ] [ 0.333333 0.666667 0.691027 ] [ 0 0 0.51374 ] [ 0.666667 0.333333 0.847074 ] [ 0.333333 0.666667 0.180407 ] [ 0.831489 0.662978 0.699293 ] [ 0.337022 0.168511 0.699293 ] [ 0.831489 0.168511 0.699293 ] [ 0.498156 0.996311 0.032626 ] [ 0.003689 0.501844 0.032626 ] [ 0.498156 0.501844 0.032626 ] [ 0.164822 0.329645 0.36596 ] [ 0.670355 0.835178 0.36596 ] [ 0.164822 0.835178 0.36596 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Ta" "Ta" "Ta" "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" 5.7722244 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }