{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.166859 0.833141 0.75175 ] [ 0.833141 0.166859 0.24825 ] [ 0.666283 0.833141 0.24825 ] [ 0.833141 0.166859 0.75175 ] [ 0.333717 0.166859 0.24825 ] [ 0.5 0.5 0.747054 ] [ 0.333717 0.166859 0.75175 ] [ 0.166859 0.333717 0.75175 ] [ 0.833141 0.666283 0.24825 ] [ 0.5 0 0.252946 ] [ 0.166859 0.833141 0.24825 ] [ 0.666283 0.833141 0.75175 ] [ 0 0.5 0.252946 ] [ 0.833141 0.666283 0.75175 ] [ 0.166859 0.333717 0.24825 ] [ 0.5 0 0.747054 ] [ 0.5 0.5 0.252946 ] [ 0 0.5 0.747054 ] [ 0.333333 0.666667 0.663029 ] [ 0.666667 0.333333 0.663029 ] [ 0 0.32865 0.5 ] [ 0.661439 0 0 ] [ 0.666667 0.333333 0.336971 ] [ 0.32865 0 0.5 ] [ 0.333333 0.666667 0.336971 ] [ 0 0.67135 0.5 ] [ 0.67135 0.67135 0.5 ] [ 0 0.338561 0 ] [ 0 0 0.838124 ] [ 0.338561 0.338561 0 ] [ 0.338561 0 0 ] [ 0.661439 0.661439 0 ] [ 0 0 0.161876 ] [ 0.67135 0 0.5 ] [ 0 0.661439 0 ] [ 0.32865 0.32865 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 8.70096396 "source-unit" "angstrom" } "c" { "source-value" 7.99278854 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.371355957435897 "source-unit" "eV" } }