{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.930872 0.930872 0.930872 ] [ 0.430872 0.569128 0.069128 ] [ 0.569128 0.069128 0.430872 ] [ 0.069128 0.430872 0.569128 ] [ 0.704046 0.704046 0.704046 ] [ 0.795954 0.295954 0.204046 ] [ 0.295954 0.204046 0.795954 ] [ 0.204046 0.795954 0.295954 ] [ 0.412662 0.412662 0.412662 ] [ 0.587338 0.912662 0.087338 ] [ 0.912662 0.087338 0.587338 ] [ 0.087338 0.587338 0.912662 ] [ 0.858062 0.641938 0.358062 ] [ 0.641938 0.358062 0.858062 ] [ 0.358062 0.858062 0.641938 ] [ 0.141938 0.141938 0.141938 ] [ 0.373275 0.542152 0.72618 ] [ 0.873275 0.957848 0.27382 ] [ 0.626725 0.042152 0.77382 ] [ 0.957848 0.27382 0.873275 ] [ 0.77382 0.626725 0.042152 ] [ 0.27382 0.873275 0.957848 ] [ 0.542152 0.72618 0.373275 ] [ 0.72618 0.373275 0.542152 ] [ 0.042152 0.77382 0.626725 ] [ 0.457848 0.22618 0.126725 ] [ 0.22618 0.126725 0.457848 ] [ 0.126725 0.457848 0.22618 ] [ 0.240239 0.521749 0.801713 ] [ 0.740239 0.978251 0.198287 ] [ 0.759761 0.021749 0.698287 ] [ 0.978251 0.198287 0.740239 ] [ 0.698287 0.759761 0.021749 ] [ 0.198287 0.740239 0.978251 ] [ 0.521749 0.801713 0.240239 ] [ 0.801713 0.240239 0.521749 ] [ 0.021749 0.698287 0.759761 ] [ 0.478251 0.301713 0.259761 ] [ 0.301713 0.259761 0.478251 ] [ 0.259761 0.478251 0.301713 ] [ 0.352061 0.496787 0.580796 ] [ 0.852061 0.003213 0.419204 ] [ 0.647939 0.996787 0.919204 ] [ 0.003213 0.419204 0.852061 ] [ 0.919204 0.647939 0.996787 ] [ 0.419204 0.852061 0.003213 ] [ 0.701629 0.522745 0.954242 ] [ 0.496787 0.580796 0.352061 ] [ 0.996787 0.919204 0.647939 ] [ 0.503213 0.080796 0.147939 ] [ 0.080796 0.147939 0.503213 ] [ 0.147939 0.503213 0.080796 ] [ 0.477255 0.454242 0.798371 ] [ 0.977255 0.045758 0.201629 ] [ 0.522745 0.954242 0.701629 ] [ 0.045758 0.201629 0.977255 ] [ 0.080087 0.310627 0.231313 ] [ 0.231313 0.080087 0.310627 ] [ 0.310627 0.231313 0.080087 ] [ 0.189373 0.768687 0.580087 ] [ 0.731313 0.419913 0.689373 ] [ 0.689373 0.731313 0.419913 ] [ 0.268687 0.919913 0.810627 ] [ 0.768687 0.580087 0.189373 ] [ 0.810627 0.268687 0.919913 ] [ 0.580087 0.189373 0.768687 ] [ 0.919913 0.810627 0.268687 ] [ 0.419913 0.689373 0.731313 ] [ 0.022745 0.545758 0.298371 ] [ 0.298371 0.022745 0.545758 ] [ 0.545758 0.298371 0.022745 ] [ 0.954242 0.701629 0.522745 ] [ 0.798371 0.477255 0.454242 ] [ 0.454242 0.798371 0.477255 ] [ 0.201629 0.977255 0.045758 ] [ 0.580796 0.352061 0.496787 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 10.03274857 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.461393379736841 "source-unit" "eV" } }