{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.356728 0.999092 0.521713 ] [ 0.642364 0.643272 0.521713 ] [ 0.999092 0.642364 0.021713 ] [ 0.000908 0.357636 0.521713 ] [ 0.643272 0.000908 0.021713 ] [ 0.357636 0.356728 0.021713 ] [ 0.333333 0.666667 0.802233 ] [ 0.333333 0.666667 0.241134 ] [ 0.666667 0.333333 0.302233 ] [ 0 0 0.017242 ] [ 0 0 0.517242 ] [ 0.666667 0.333333 0.741134 ] [ 0.332105 0.83805 0.020787 ] [ 0.667895 0.16195 0.520787 ] [ 0.504284 0.171932 0.022401 ] [ 0.495716 0.828068 0.522401 ] [ 0.19135 0.096264 0.767429 ] [ 0.828068 0.332353 0.022401 ] [ 0.494055 0.332105 0.520787 ] [ 0.505945 0.667895 0.020787 ] [ 0.096264 0.904914 0.267429 ] [ 0.171932 0.667647 0.522401 ] [ 0.80865 0.903736 0.267429 ] [ 0.16195 0.494055 0.020787 ] [ 0.095086 0.19135 0.267429 ] [ 0.903736 0.095086 0.767429 ] [ 0.83805 0.505945 0.520787 ] [ 0.904914 0.80865 0.767429 ] [ 0.667647 0.495716 0.022401 ] [ 0.332353 0.504284 0.522401 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 13.3998163358 "source-unit" "angstrom" } "c" { "source-value" 5.9289107 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.129433829 "source-unit" "eV" } }