{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P312" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.666607 ] [ 0.666667 0.333333 0.335894 ] [ 0.333333 0.666667 0.333393 ] [ 0 0 0 ] [ 0.666667 0.333333 0.664106 ] [ 0.333333 0.666667 0 ] [ 0.03318 0.333282 0.926141 ] [ 0.999216 0.366804 0.260639 ] [ 0.367588 0.000784 0.260639 ] [ 0.633196 0.000784 0.739361 ] [ 0.03318 0.699898 0.073859 ] [ 0.999216 0.632412 0.739361 ] [ 0.300102 0.333282 0.073859 ] [ 0.300102 0.96682 0.926141 ] [ 0.367588 0.366804 0.739361 ] [ 0.363694 0.364448 0.408082 ] [ 0.633196 0.632412 0.260639 ] [ 0.666718 0.96682 0.073859 ] [ 0.635552 0.999245 0.408082 ] [ 0.000755 0.364448 0.591918 ] [ 0.000755 0.636306 0.408082 ] [ 0.363694 0.999245 0.591918 ] [ 0.666718 0.699898 0.926141 ] [ 0.635552 0.636306 0.591918 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 6.18758662468 "source-unit" "angstrom" } "c" { "source-value" 18.70470982 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.2055941854166665 "source-unit" "eV" } }