{ "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 ] [ 0.858693 0.720926 0.25 ] [ 0.862233 0.141307 0.25 ] [ 0.279074 0.137767 0.25 ] [ 0.141307 0.279074 0.75 ] [ 0.137767 0.858693 0.75 ] [ 0.720926 0.862233 0.75 ] [ 0.912436 0.600467 0.25 ] [ 0.688032 0.087564 0.25 ] [ 0.399533 0.311968 0.25 ] [ 0.087564 0.399533 0.75 ] [ 0.311968 0.912436 0.75 ] [ 0.600467 0.688032 0.75 ] ] } "species" { "source-value" [ "Tm" "Tm" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.32431304919 "source-unit" "angstrom" } "c" { "source-value" 3.44360312 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.170560311428572 "source-unit" "eV" } }