{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.685881 0.090386 0.25 ] [ 0.404505 0.314119 0.25 ] [ 0.090386 0.404505 0.75 ] [ 0.909614 0.595495 0.25 ] [ 0.595495 0.685881 0.75 ] [ 0.314119 0.909614 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.951859 0.759481 0.75 ] [ 0.240519 0.192378 0.75 ] [ 0.759481 0.807622 0.25 ] [ 0.807622 0.048141 0.75 ] [ 0.192378 0.951859 0.25 ] [ 0.048141 0.240519 0.25 ] [ 0.635951 0.475731 0.518675 ] [ 0.364049 0.524269 0.481325 ] [ 0.475731 0.83978 0.018675 ] [ 0.83978 0.364049 0.981325 ] [ 0.524269 0.16022 0.518675 ] [ 0.364049 0.524269 0.018675 ] [ 0.524269 0.16022 0.981325 ] [ 0.83978 0.364049 0.518675 ] [ 0.475731 0.83978 0.481325 ] [ 0.635951 0.475731 0.981325 ] [ 0.16022 0.635951 0.481325 ] [ 0.16022 0.635951 0.018675 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "W" "W" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.42995952507 "source-unit" "angstrom" } "c" { "source-value" 5.44593158 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.120321247692307 "source-unit" "eV" } }