{ "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" [ [ 0.229174 0.849188 0.030189 ] [ 0.150812 0.379986 0.030189 ] [ 0.849188 0.620014 0.530189 ] [ 0.620014 0.770826 0.030189 ] [ 0.770826 0.150812 0.530189 ] [ 0.379986 0.229174 0.530189 ] [ 0.666667 0.333333 0.149421 ] [ 0.333333 0.666667 0.649421 ] [ 0 0 0.50015 ] [ 0 0 0.00015 ] [ 0.666667 0.333333 0.751307 ] [ 0.567113 0.487379 0.281876 ] [ 0.154322 0.892386 0.515376 ] [ 0.512621 0.079734 0.281876 ] [ 0.432887 0.512621 0.781876 ] [ 0.487379 0.920266 0.781876 ] [ 0.845678 0.107614 0.015376 ] [ 0.079734 0.567113 0.781876 ] [ 0.738064 0.845678 0.515376 ] [ 0.333333 0.666667 0.251307 ] [ 0.920266 0.432887 0.281876 ] [ 0.261936 0.154322 0.015376 ] [ 0.107614 0.261936 0.515376 ] [ 0.892386 0.738064 0.015376 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 9.64264360102 "source-unit" "angstrom" } "c" { "source-value" 5.68050029 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.0384657775 "source-unit" "eV" } }