{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.63093 ] [ 0.666667 0.333333 0.964264 ] [ 0.333333 0.666667 0.297597 ] [ 0 0 0.110251 ] [ 0.666667 0.333333 0.443584 ] [ 0.333333 0.666667 0.776917 ] [ 0.279051 0.115392 0.286084 ] [ 0.945718 0.448725 0.619418 ] [ 0.612384 0.782058 0.952751 ] [ 0.836341 0.720949 0.286084 ] [ 0.503007 0.054282 0.619418 ] [ 0.169674 0.387616 0.952751 ] [ 0.884608 0.163659 0.286084 ] [ 0.551275 0.496993 0.619418 ] [ 0.217942 0.830326 0.952751 ] [ 0.930276 0.71077 0.39246 ] [ 0.596943 0.044104 0.725793 ] [ 0.263609 0.377437 0.059127 ] [ 0.28923 0.219506 0.39246 ] [ 0.955896 0.552839 0.725793 ] [ 0.622563 0.886172 0.059127 ] [ 0.565248 0.664084 0.59364 ] [ 0.231915 0.997417 0.926973 ] [ 0.898581 0.330751 0.260307 ] [ 0.335916 0.901164 0.59364 ] [ 0.002583 0.234497 0.926973 ] [ 0.669249 0.567831 0.260307 ] [ 0.098836 0.434752 0.59364 ] [ 0.765503 0.768085 0.926973 ] [ 0.432169 0.101419 0.260307 ] [ 0.780494 0.069724 0.39246 ] [ 0.447161 0.403057 0.725793 ] [ 0.113828 0.736391 0.059127 ] ] } "species" { "source-value" [ "K" "K" "K" "Cd" "Cd" "Cd" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "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" 7.76242926085 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }