{ "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 0.999344 ] [ 0.666667 0.333333 0.332677 ] [ 0.333333 0.666667 0.666011 ] [ 0 0 0.511158 ] [ 0.666667 0.333333 0.844491 ] [ 0.333333 0.666667 0.177824 ] [ 0.264542 0.132271 0.576499 ] [ 0.931209 0.465604 0.909833 ] [ 0.597876 0.798938 0.243166 ] [ 0.867729 0.132271 0.576499 ] [ 0.534396 0.465604 0.909833 ] [ 0.201062 0.798938 0.243166 ] [ 0.867729 0.735458 0.576499 ] [ 0.534396 0.068791 0.909833 ] [ 0.201062 0.402124 0.243166 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Cl" "Cl" "Cl" "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" 6.11637559696 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }