{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0.324881 0.86458 0.557952 ] [ 0.991548 0.197914 0.891285 ] [ 0.658214 0.531247 0.224619 ] [ 0.539699 0.675119 0.557952 ] [ 0.206366 0.008452 0.891285 ] [ 0.873033 0.341786 0.224619 ] [ 0.13542 0.460301 0.557952 ] [ 0.802086 0.793634 0.891285 ] [ 0.468753 0.126967 0.224619 ] [ 0.802086 0.008452 0.391285 ] [ 0.468753 0.341786 0.724619 ] [ 0.13542 0.675119 0.057952 ] [ 0.206366 0.197914 0.391285 ] [ 0.873033 0.531247 0.724619 ] [ 0.539699 0.86458 0.057952 ] [ 0.991548 0.793634 0.391285 ] [ 0.658214 0.126967 0.724619 ] [ 0.324881 0.460301 0.057952 ] [ 0.324286 0.463859 0.547755 ] [ 0.990953 0.797192 0.881089 ] [ 0.65762 0.130526 0.214422 ] [ 0.139573 0.675714 0.547755 ] [ 0.806239 0.009047 0.881089 ] [ 0.472906 0.34238 0.214422 ] [ 0.536141 0.860427 0.547755 ] [ 0.202808 0.193761 0.881089 ] [ 0.869474 0.527094 0.214422 ] [ 0.202808 0.009047 0.381089 ] [ 0.869474 0.34238 0.714422 ] [ 0.536141 0.675714 0.047755 ] [ 0.806239 0.797192 0.381089 ] [ 0.472906 0.130526 0.714422 ] [ 0.139573 0.463859 0.047755 ] [ 0.990953 0.193761 0.381089 ] [ 0.65762 0.527094 0.714422 ] [ 0.324286 0.860427 0.047755 ] [ 0.300498 0.541477 0.663483 ] [ 0.967165 0.87481 0.996816 ] [ 0.633831 0.208144 0.33015 ] [ 0.240979 0.699502 0.663483 ] [ 0.907646 0.032835 0.996816 ] [ 0.574312 0.366169 0.33015 ] [ 0.458523 0.759021 0.663483 ] [ 0.12519 0.092354 0.996816 ] [ 0.791856 0.425688 0.33015 ] [ 0.12519 0.032835 0.496816 ] [ 0.791856 0.366169 0.83015 ] [ 0.458523 0.699502 0.163483 ] [ 0.907646 0.87481 0.496816 ] [ 0.574312 0.208144 0.83015 ] [ 0.240979 0.541477 0.163483 ] [ 0.967165 0.092354 0.496816 ] [ 0.633831 0.425688 0.83015 ] [ 0.300498 0.759021 0.163483 ] [ 0.681379 0.070797 0.395295 ] [ 0.348046 0.404131 0.728628 ] [ 0.014713 0.737464 0.061962 ] [ 0.389418 0.318621 0.395295 ] [ 0.056085 0.651954 0.728628 ] [ 0.722751 0.985287 0.061962 ] [ 0.929203 0.610582 0.395295 ] [ 0.595869 0.943915 0.728628 ] [ 0.262536 0.277249 0.061962 ] [ 0.262536 0.985287 0.561962 ] [ 0.929203 0.318621 0.895295 ] [ 0.595869 0.651954 0.228628 ] [ 0.722751 0.737464 0.561962 ] [ 0.389418 0.070797 0.895295 ] [ 0.056085 0.404131 0.228628 ] [ 0.014713 0.277249 0.561962 ] [ 0.681379 0.610582 0.895295 ] [ 0.348046 0.943915 0.228628 ] [ 0.230343 0.385902 0.408053 ] [ 0.89701 0.719235 0.741386 ] [ 0.563676 0.052568 0.07472 ] [ 0.155558 0.769657 0.408053 ] [ 0.822225 0.10299 0.741386 ] [ 0.488892 0.436324 0.07472 ] [ 0.614098 0.844442 0.408053 ] [ 0.280765 0.177775 0.741386 ] [ 0.947432 0.511108 0.07472 ] [ 0.280765 0.10299 0.241386 ] [ 0.947432 0.436324 0.57472 ] [ 0.614098 0.769657 0.908053 ] [ 0.822225 0.719235 0.241386 ] [ 0.488892 0.052568 0.57472 ] [ 0.155558 0.385902 0.908053 ] [ 0.89701 0.177775 0.241386 ] [ 0.563676 0.511108 0.57472 ] [ 0.230343 0.844442 0.908053 ] [ 0.083306 0.855633 0.720062 ] [ 0.749973 0.188966 0.053395 ] [ 0.41664 0.522299 0.386729 ] [ 0.772327 0.916694 0.720062 ] [ 0.438993 0.250027 0.053395 ] [ 0.10566 0.58336 0.386729 ] [ 0.144367 0.227673 0.720062 ] [ 0.811034 0.561007 0.053395 ] [ 0.477701 0.89434 0.386729 ] [ 0.811034 0.250027 0.553395 ] [ 0.477701 0.58336 0.886729 ] [ 0.144367 0.916694 0.220062 ] [ 0.438993 0.188966 0.553395 ] [ 0.10566 0.522299 0.886729 ] [ 0.772327 0.855633 0.220062 ] [ 0.749973 0.561007 0.553395 ] [ 0.41664 0.89434 0.886729 ] [ 0.083306 0.227673 0.220062 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 23.0009378714 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }