{ "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 0.007002 ] [ 0.666667 0.333333 0.340335 ] [ 0.333333 0.666667 0.673669 ] [ 0 0 0.505063 ] [ 0.666667 0.333333 0.838397 ] [ 0.333333 0.666667 0.17173 ] [ 0.148181 0.296361 0.397612 ] [ 0.814847 0.629695 0.730945 ] [ 0.481514 0.963028 0.064278 ] [ 0.703639 0.851819 0.397612 ] [ 0.370305 0.185153 0.730945 ] [ 0.036972 0.518486 0.064278 ] [ 0.148181 0.851819 0.397612 ] [ 0.814847 0.185153 0.730945 ] [ 0.481514 0.518486 0.064278 ] ] } "species" { "source-value" [ "K" "K" "K" "I" "I" "I" "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" 6.3360637667 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }