{ "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 0.997155 ] [ 0.666667 0.333333 0.330488 ] [ 0.333333 0.666667 0.663821 ] [ 0 0 0.482209 ] [ 0.666667 0.333333 0.815542 ] [ 0.333333 0.666667 0.148875 ] [ 0.16289 0.325781 0.349846 ] [ 0.829557 0.659114 0.683179 ] [ 0.496224 0.992447 0.016512 ] [ 0.16289 0.83711 0.349846 ] [ 0.829557 0.170443 0.683179 ] [ 0.496224 0.503776 0.016512 ] [ 0.674219 0.83711 0.349846 ] [ 0.340886 0.170443 0.683179 ] [ 0.007553 0.503776 0.016512 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ti" "Ti" "Ti" "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" 5.75080941513 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }