{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.834827 0.714171 0.25 ] [ 0.879344 0.165173 0.25 ] [ 0.285829 0.120656 0.25 ] [ 0.165173 0.285829 0.75 ] [ 0.120656 0.834827 0.75 ] [ 0.714171 0.879344 0.75 ] [ 0.918819 0.618107 0.25 ] [ 0.699289 0.081181 0.25 ] [ 0.381893 0.300711 0.25 ] [ 0.081181 0.381893 0.75 ] [ 0.300711 0.918819 0.75 ] [ 0.618107 0.699289 0.75 ] ] } "species" { "source-value" [ "Yb" "Yb" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.28760600691 "source-unit" "angstrom" } "c" { "source-value" 3.54392469 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.256775718571428 "source-unit" "eV" } }