{ "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 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.187054 ] [ 0.666667 0.333333 0.812946 ] [ 0.719067 0.079763 0.86822 ] [ 0.360696 0.280933 0.86822 ] [ 0.079763 0.360696 0.13178 ] [ 0.666667 0.333333 0.651486 ] [ 0.333333 0.666667 0.348514 ] [ 0.280933 0.920237 0.13178 ] [ 0.920237 0.639304 0.86822 ] [ 0.639304 0.719067 0.13178 ] ] } "species" { "source-value" [ "Cs" "Fe" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 4.97558954638 "source-unit" "angstrom" } "c" { "source-value" 9.07018068 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.1188858375 "source-unit" "eV" } }