{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.160352 0.883906 0 ] [ 0.389728 0.957221 0.5 ] [ 0.723554 0.839648 0 ] [ 0.042779 0.432507 0.5 ] [ 0.567493 0.610272 0.5 ] [ 0.90585 0.779695 0.5 ] [ 0.116094 0.276446 0 ] [ 0.431637 0.382338 0 ] [ 0.950702 0.568363 0 ] [ 0.220305 0.126155 0.5 ] [ 0.617662 0.049298 0 ] [ 0.873845 0.09415 0.5 ] [ 0.121545 0.714743 0.5 ] [ 0.593199 0.878455 0.5 ] [ 0 0 0 ] [ 0.285257 0.406801 0.5 ] [ 0.713412 0.585573 0 ] [ 0.414427 0.127839 0 ] [ 0.872161 0.286588 0 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" ] } "a" { "source-value" 8.8705482 "source-unit" "angstrom" } "c" { "source-value" 3.55244579 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.338224193809524 "source-unit" "eV" } }