{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_422" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.333333 ] [ 0 0 0.666667 ] [ 0 0.5 0.833333 ] [ 0.5 0.5 0.166667 ] [ 0.5 0 0.5 ] [ 0 0.5 0.333333 ] [ 0.5 0.5 0.666667 ] [ 0.5 0 0 ] [ 0.183125 0.789127 0.405811 ] [ 0.210873 0.816875 0.927522 ] [ 0.183125 0.393998 0.260856 ] [ 0.210873 0.393998 0.739144 ] [ 0.606002 0.816875 0.072478 ] [ 0.606002 0.789127 0.594189 ] [ 0.393998 0.210873 0.594189 ] [ 0.393998 0.183125 0.072478 ] [ 0.789127 0.606002 0.739144 ] [ 0.816875 0.606002 0.260856 ] [ 0.789127 0.183125 0.927522 ] [ 0.816875 0.210873 0.405811 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "V" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.41912792 "source-unit" "angstrom" } "c" { "source-value" 12.45697805 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.286791140000001 "source-unit" "eV" } }