{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.500334 0.000667 0.216914 ] [ 0.500334 0.499666 0.216914 ] [ 0 0 0.768679 ] [ 0.999333 0.499666 0.216914 ] [ 0.500334 0.499666 0.783086 ] [ 0 0 0.231321 ] [ 0.500334 0.000667 0.783086 ] [ 0.999333 0.499666 0.783086 ] [ 0.737444 0.474887 0 ] [ 0.525113 0.262556 0 ] [ 0.861237 0.138763 0 ] [ 0.474667 0.737334 0 ] [ 0.721861 0.860931 0 ] [ 0.861237 0.722474 0 ] [ 0.737444 0.262556 0 ] [ 0.139069 0.860931 0 ] [ 0.139069 0.278139 0 ] [ 0.262666 0.737334 0 ] [ 0.277526 0.138763 0 ] [ 0.262666 0.525333 0 ] [ 0.339041 0.169521 0.5 ] [ 0.830479 0.660959 0.5 ] [ 0.830479 0.169521 0.5 ] [ 0.333333 0.666667 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 7.84123760427 "source-unit" "angstrom" } "c" { "source-value" 8.56859945 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.100230925416667 "source-unit" "eV" } }