{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.246411 ] [ 0 0 0.746411 ] [ 0.333333 0.666667 0.940475 ] [ 0.666667 0.333333 0.440475 ] [ 0.666667 0.333333 0.058391 ] [ 0.333333 0.666667 0.558391 ] [ 0.666667 0.333333 0.242777 ] [ 0.333333 0.666667 0.742777 ] [ 0.382062 0.985525 0.500315 ] [ 0.603463 0.617938 0.500315 ] [ 0.014475 0.396537 0.500315 ] [ 0.396537 0.014475 0.000315 ] [ 0.617938 0.603463 0.000315 ] [ 0.985525 0.382062 0.000315 ] ] } "species" { "source-value" [ "K" "K" "Al" "Al" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.229741 "source-unit" "angstrom" } "c" { "source-value" 8.85771397 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.090384859285714 "source-unit" "eV" } }