{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.699472 0.666568 0.355145 ] [ 0.967096 0.300528 0.355145 ] [ 0.333432 0.032904 0.355145 ] [ 0.300528 0.333432 0.644855 ] [ 0.032904 0.699472 0.644855 ] [ 0.666568 0.967096 0.644855 ] [ 0.333333 0.666667 0.157696 ] [ 0.666667 0.333333 0.842304 ] [ 0.112711 0.439844 0.125482 ] [ 0.327133 0.887289 0.125482 ] [ 0.560156 0.672867 0.125482 ] [ 0.887289 0.560156 0.874518 ] [ 0.672867 0.112711 0.874518 ] [ 0.439844 0.327133 0.874518 ] [ 0.332232 0.333823 0.430577 ] [ 0.001592 0.667768 0.430577 ] [ 0 0 0.711567 ] [ 0 0 0.288433 ] [ 0.666667 0.333333 0.685299 ] [ 0.333333 0.666667 0.314701 ] [ 0.333333 0.666667 0.712778 ] [ 0.666667 0.333333 0.287222 ] [ 0.333823 0.001592 0.569423 ] [ 0.998408 0.332232 0.569423 ] [ 0.667768 0.666177 0.569423 ] [ 0.666177 0.998408 0.430577 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.43948966635 "source-unit" "angstrom" } "c" { "source-value" 9.9120531 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.29741914846154 "source-unit" "eV" } }