{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.141501 ] [ 0 0 0.358499 ] [ 0 0 0.641501 ] [ 0 0 0.858499 ] [ 0.666667 0.333333 0.018399 ] [ 0.666667 0.333333 0.303206 ] [ 0.666667 0.333333 0.518399 ] [ 0.666667 0.333333 0.803206 ] [ 0.333333 0.666667 0.196794 ] [ 0.333333 0.666667 0.481601 ] [ 0.333333 0.666667 0.696794 ] [ 0.333333 0.666667 0.981601 ] [ 0.285189 0 0.75 ] [ 0.34033 0.02366 0.41574 ] [ 0.34033 0.31667 0.91574 ] [ 0.68333 0.02366 0.91574 ] [ 0.714811 0 0.25 ] [ 0 0.285189 0.75 ] [ 0.97634 0.31667 0.41574 ] [ 0.68333 0.65967 0.41574 ] [ 0.02366 0.34033 0.08426 ] [ 0.285189 0.285189 0.25 ] [ 0.97634 0.65967 0.91574 ] [ 0.31667 0.34033 0.58426 ] [ 0.02366 0.68333 0.58426 ] [ 0 0.714811 0.25 ] [ 0.31667 0.97634 0.08426 ] [ 0.65967 0.68333 0.08426 ] [ 0.714811 0.714811 0.75 ] [ 0.65967 0.97634 0.58426 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.24367755 "source-unit" "angstrom" } "c" { "source-value" 14.3469195 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.93940682 "source-unit" "eV" } }