{ "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" [ [ 0.131854 0.358762 0.08189 ] [ 0.773093 0.131854 0.58189 ] [ 0.358762 0.226907 0.58189 ] [ 0.641238 0.773093 0.08189 ] [ 0.226907 0.868146 0.08189 ] [ 0.868146 0.641238 0.58189 ] [ 0 0 0.002541 ] [ 0 0 0.502541 ] [ 0.333333 0.666667 0.657494 ] [ 0.666667 0.333333 0.157494 ] [ 0.267661 0.166376 0.055156 ] [ 0.101285 0.267661 0.555156 ] [ 0.166376 0.898715 0.555156 ] [ 0.833624 0.101285 0.055156 ] [ 0.898715 0.732339 0.055156 ] [ 0.732339 0.833624 0.555156 ] [ 0.515862 0.093672 0.327816 ] [ 0.42219 0.515862 0.827816 ] [ 0.093672 0.57781 0.827816 ] [ 0.906328 0.42219 0.327816 ] [ 0.57781 0.484138 0.327816 ] [ 0.484138 0.906328 0.827816 ] [ 0.333333 0.666667 0.26568 ] [ 0.666667 0.333333 0.76568 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Ag" "Ag" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 10.4767582014 "source-unit" "angstrom" } "c" { "source-value" 6.07142908 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.718634717916667 "source-unit" "eV" } }