{ "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" [ [ 0.16174 0.292602 0.415027 ] [ 0.828407 0.625935 0.748361 ] [ 0.495074 0.959269 0.081694 ] [ 0 0 0.126309 ] [ 0.666667 0.333333 0.459642 ] [ 0.333333 0.666667 0.792976 ] [ 0.130862 0.83826 0.415027 ] [ 0.797528 0.171593 0.748361 ] [ 0.464195 0.504926 0.081694 ] [ 0.707398 0.869138 0.415027 ] [ 0.374065 0.202472 0.748361 ] [ 0.040731 0.535805 0.081694 ] [ 0 0 0.848889 ] [ 0.666667 0.333333 0.182223 ] [ 0.333333 0.666667 0.515556 ] [ 0.124536 0.556736 0.566056 ] [ 0.791203 0.890069 0.89939 ] [ 0.45787 0.223403 0.232723 ] [ 0.432199 0.875464 0.566056 ] [ 0.098866 0.208797 0.89939 ] [ 0.765533 0.54213 0.232723 ] [ 0 0 0.696712 ] [ 0.666667 0.333333 0.030045 ] [ 0.333333 0.666667 0.363379 ] [ 0.443264 0.567801 0.566056 ] [ 0.109931 0.901134 0.89939 ] [ 0.776597 0.234467 0.232723 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "C" "C" "C" "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" 7.57086634369 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }