{ "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 ] [ 0.276653 0.130082 0.25 ] [ 0.853429 0.723347 0.25 ] [ 0.869918 0.146571 0.25 ] [ 0.723347 0.869918 0.75 ] [ 0.146571 0.276653 0.75 ] [ 0.130082 0.853429 0.75 ] [ 0.385677 0.305125 0.25 ] [ 0.919448 0.614323 0.25 ] [ 0.694875 0.080552 0.25 ] [ 0.614323 0.694875 0.75 ] [ 0.080552 0.385677 0.75 ] [ 0.305125 0.919448 0.75 ] ] } "species" { "source-value" [ "Yb" "Yb" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.32271973748 "source-unit" "angstrom" } "c" { "source-value" 3.5548901 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.2549632285714285 "source-unit" "eV" } }