{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0.377689 0 0.989425 ] [ 0 0.377689 0.989425 ] [ 0.622311 0.622311 0.989425 ] [ 0.290579 0.290579 0.489693 ] [ 0 0.709421 0.489693 ] [ 0.709421 0 0.489693 ] [ 0 0 0.966647 ] [ 0.333333 0.666667 0.419485 ] [ 0.666667 0.333333 0.419485 ] [ 0.615178 0.615178 0.642415 ] [ 0 0.384822 0.642415 ] [ 0.384822 0 0.642415 ] [ 0.147401 0.147401 0.614357 ] [ 0 0.852599 0.614357 ] [ 0.852599 0 0.614357 ] [ 0.293434 0.437396 0.594273 ] [ 0.562604 0.856038 0.594273 ] [ 0.143962 0.706566 0.594273 ] [ 0.23145 0 0.084175 ] [ 0 0.23145 0.084175 ] [ 0.76855 0.76855 0.084175 ] [ 0.520352 0.146106 0.106826 ] [ 0.853894 0.374246 0.106826 ] [ 0.625754 0.479648 0.106826 ] [ 0.146106 0.520352 0.106826 ] [ 0.374246 0.853894 0.106826 ] [ 0.479648 0.625754 0.106826 ] [ 0.715774 0 0.142566 ] [ 0 0.715774 0.142566 ] [ 0.284226 0.284226 0.142566 ] [ 0.706566 0.143962 0.594273 ] [ 0.856038 0.562604 0.594273 ] [ 0.437396 0.293434 0.594273 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Pb" "Pb" "Pb" "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" 11.5427401728 "source-unit" "angstrom" } "c" { "source-value" 4.99404098 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.805092901818183 "source-unit" "eV" } }