{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.022341 ] [ 0.666667 0.333333 0.977659 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.333333 0.666667 0.666814 ] [ 0.666667 0.333333 0.333186 ] [ 0.173489 0.826511 0.214378 ] [ 0.653022 0.826511 0.214378 ] [ 0.826511 0.653022 0.785622 ] [ 0.173489 0.346978 0.214378 ] [ 0.826511 0.173489 0.785622 ] [ 0.346978 0.173489 0.785622 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.31410467 "source-unit" "angstrom" } "c" { "source-value" 5.25635869 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.3142284278571434 "source-unit" "eV" } }