{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.203553 0.796447 0.997143 ] [ 0.333333 0.666667 0.59007 ] [ 0.592893 0.796447 0.997143 ] [ 0.203553 0.407107 0.997143 ] [ 0.796447 0.592893 0.497143 ] [ 0.666667 0.333333 0.09007 ] [ 0.407107 0.203553 0.497143 ] [ 0.796447 0.203553 0.497143 ] [ 0.137859 0.862141 0.615652 ] [ 0.464678 0.929355 0.294293 ] [ 0.724283 0.862141 0.615652 ] [ 0.070645 0.535322 0.294293 ] [ 0.464678 0.535322 0.294293 ] [ 0.862141 0.724283 0.115652 ] [ 0.137859 0.275717 0.615652 ] [ 0.535322 0.464678 0.794293 ] [ 0.275717 0.137859 0.115652 ] [ 0.929355 0.464678 0.794293 ] [ 0.535322 0.070645 0.794293 ] [ 0.862141 0.137859 0.115652 ] [ 0.333333 0.666667 0.899352 ] [ 0.666667 0.333333 0.399352 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "O" "O" ] } "a" { "source-value" 9.46799436 "source-unit" "angstrom" } "c" { "source-value" 7.18668924 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.213985375909091 "source-unit" "eV" } }