{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P321" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.640842 ] [ 0.333333 0.666667 0.359158 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.164716 ] [ 0.333333 0.666667 0.835284 ] [ 0.16133 0.773853 0.731147 ] [ 0.387476 0.226147 0.268853 ] [ 0.773853 0.16133 0.268853 ] [ 0.83867 0.612524 0.268853 ] [ 0.226147 0.387476 0.731147 ] [ 0.612524 0.83867 0.731147 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Te" "Te" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 6.91486271495 "source-unit" "angstrom" } "c" { "source-value" 8.07314686 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.781772720833334 "source-unit" "eV" } }