{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.705759 ] [ 0.666667 0.333333 0.294241 ] [ 0.832443 0.167557 0.189923 ] [ 0.832443 0.664885 0.189923 ] [ 0.335115 0.167557 0.189923 ] [ 0.333333 0.666667 0.440432 ] [ 0.666667 0.333333 0.559568 ] [ 0.167557 0.832443 0.810077 ] [ 0.167557 0.335115 0.810077 ] [ 0.664885 0.832443 0.810077 ] ] } "species" { "source-value" [ "Mg" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 5.23272852958 "source-unit" "angstrom" } "c" { "source-value" 6.04250357 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.3122887845454545 "source-unit" "eV" } }