{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.250494 0 0.5 ] [ 0.749506 0.749506 0.5 ] [ 0 0.236757 0 ] [ 0.236757 0 0 ] [ 0.763243 0.763243 0 ] [ 0 0.250494 0.5 ] [ 0 0.605534 0.302408 ] [ 0.666667 0.333333 0.195746 ] [ 0.333333 0.666667 0.195746 ] [ 0.394466 0.394466 0.302408 ] [ 0.666667 0.333333 0.804254 ] [ 0.394466 0.394466 0.697592 ] [ 0 0.605534 0.697592 ] [ 0.605534 0 0.302408 ] [ 0.605534 0 0.697592 ] [ 0.333333 0.666667 0.804254 ] [ 0.333333 0.666667 0 ] [ 0.246502 0.246502 0.221363 ] [ 0 0.753498 0.778637 ] [ 0.380794 0.380794 0.5 ] [ 0.150319 0.573017 0.739538 ] [ 0.753498 0 0.778637 ] [ 0.577302 0.426983 0.739538 ] [ 0.577302 0.426983 0.260462 ] [ 0.849681 0.422698 0.260462 ] [ 0.849681 0.422698 0.739538 ] [ 0.666667 0.333333 0 ] [ 0.422698 0.849681 0.260462 ] [ 0.573017 0.150319 0.260462 ] [ 0.753498 0 0.221363 ] [ 0.619206 0 0.5 ] [ 0 0.753498 0.221363 ] [ 0.422698 0.849681 0.739538 ] [ 0 0.619206 0.5 ] [ 0.426983 0.577302 0.739538 ] [ 0.573017 0.150319 0.739538 ] [ 0.246502 0.246502 0.778637 ] [ 0.426983 0.577302 0.260462 ] [ 0.150319 0.573017 0.260462 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.66385758971 "source-unit" "angstrom" } "c" { "source-value" 8.30355353 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.059586676153846 "source-unit" "eV" } }