{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_222" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.396792 ] [ 0.5 0.5 0.730125 ] [ 0 0.5 0.063458 ] [ 0.5 0 0.603208 ] [ 0.5 0.5 0.936542 ] [ 0 0.5 0.269875 ] [ 0.167713 0.335427 0.5 ] [ 0.832287 0.167713 0.833333 ] [ 0.335427 0.167713 0.166667 ] [ 0.664573 0.832287 0.166667 ] [ 0.167713 0.832287 0.833333 ] [ 0.832287 0.664573 0.5 ] [ 0 0 0 ] [ 0 0 0.333333 ] [ 0 0 0.666667 ] [ 0.5 0 0 ] [ 0.5 0.5 0.333333 ] [ 0 0.5 0.666667 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.54385446119 "source-unit" "angstrom" } "c" { "source-value" 14.34192853 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.275972113888889 "source-unit" "eV" } }