{ "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 0 0.5 ] [ 0.333333 0.666667 0.242895 ] [ 0.666667 0.333333 0.757105 ] [ 0.333333 0.666667 0.887233 ] [ 0.333333 0.666667 0.611705 ] [ 0.666667 0.333333 0.388295 ] [ 0.666667 0.333333 0.112767 ] [ 0 0.5 0.5 ] [ 0.183578 0.816422 0.748184 ] [ 0.5 0 0.5 ] [ 0.183578 0.367155 0.748184 ] [ 0.632845 0.816422 0.748184 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.367155 0.183578 0.251816 ] [ 0.5 0 0 ] [ 0.816422 0.632845 0.251816 ] [ 0.816422 0.183578 0.251816 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.51515613 "source-unit" "angstrom" } "c" { "source-value" 9.317074 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.685052684210526 "source-unit" "eV" } }