{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.92633 ] [ 0.333333 0.666667 0.42633 ] [ 0.333333 0.666667 0.07367 ] [ 0.666667 0.333333 0.57367 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.75 ] [ 0.282423 0.333329 0.825222 ] [ 0.717577 0.050906 0.325222 ] [ 0.717577 0.666671 0.174778 ] [ 0.050906 0.333329 0.674778 ] [ 0.949094 0.282423 0.174778 ] [ 0.333329 0.050906 0.174778 ] [ 0.666671 0.717577 0.674778 ] [ 0.050906 0.717577 0.825222 ] [ 0.333329 0.282423 0.325222 ] [ 0.666671 0.949094 0.825222 ] [ 0.949094 0.666671 0.325222 ] [ 0.282423 0.949094 0.674778 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.41372586796 "source-unit" "angstrom" } "c" { "source-value" 15.04376828 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.5673393505 "source-unit" "eV" } }