{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0 0 0.5 ] [ 0.166923 0.333846 0.244783 ] [ 0.833077 0.166923 0.244783 ] [ 0.333846 0.166923 0.244783 ] [ 0.666154 0.833077 0.244783 ] [ 0.166923 0.833077 0.244783 ] [ 0.833077 0.666154 0.755217 ] [ 0.833077 0.166923 0.755217 ] [ 0.833077 0.666154 0.244783 ] [ 0.333846 0.166923 0.755217 ] [ 0.666154 0.833077 0.755217 ] [ 0.166923 0.333846 0.755217 ] [ 0.166923 0.833077 0.755217 ] [ 0.5 0 0.260285 ] [ 0.5 0.5 0.260285 ] [ 0 0.5 0.260285 ] [ 0.5 0 0.739715 ] [ 0.5 0.5 0.739715 ] [ 0 0.5 0.739715 ] [ 0.341229 0 0 ] [ 0.341229 0.341229 0 ] [ 0 0.658771 0 ] [ 0 0.341229 0 ] [ 0.658771 0.658771 0 ] [ 0.658771 0 0 ] [ 0.325076 0 0.5 ] [ 0.325076 0.325076 0.5 ] [ 0 0.674924 0.5 ] [ 0 0.325076 0.5 ] [ 0.674924 0.674924 0.5 ] [ 0.674924 0 0.5 ] [ 0.333333 0.666667 0.338187 ] [ 0.666667 0.333333 0.338187 ] [ 0.666667 0.333333 0.661813 ] [ 0.333333 0.666667 0.661813 ] [ 0 0 0.160694 ] [ 0 0 0.839306 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 8.7540909302 "source-unit" "angstrom" } "c" { "source-value" 7.83955874 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.266220479230769 "source-unit" "eV" } }