{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.149734 ] [ 0 0 0.849877 ] [ 0.666667 0.333333 0.957711 ] [ 0.666667 0.333333 0.553026 ] [ 0 0 0.649734 ] [ 0.333333 0.666667 0.053026 ] [ 0 0 0.349877 ] [ 0.666667 0.333333 0.242382 ] [ 0.333333 0.666667 0.457711 ] [ 0.333333 0.666667 0.742382 ] [ 0.666667 0.333333 0.681208 ] [ 0.333333 0.666667 0.181208 ] [ 0 0 0.009211 ] [ 0 0 0.509211 ] [ 0.333333 0.666667 0.902412 ] [ 0.666667 0.333333 0.799104 ] [ 0.333333 0.666667 0.299104 ] [ 0.666667 0.333333 0.402412 ] [ 0.333333 0.666667 0.599282 ] [ 0.666667 0.333333 0.099282 ] [ 0.351706 0.175853 0.052818 ] [ 0.176831 0.823169 0.942837 ] [ 0.500178 0.000356 0.350883 ] [ 0.824147 0.648294 0.052818 ] [ 0.490665 0.98133 0.646816 ] [ 0.646337 0.823169 0.942837 ] [ 0.177365 0.354729 0.258664 ] [ 0.354729 0.177365 0.758664 ] [ 0.822635 0.645271 0.758664 ] [ 0.177365 0.822635 0.258664 ] [ 0.000356 0.500178 0.850883 ] [ 0.823169 0.176831 0.442837 ] [ 0.353663 0.176831 0.442837 ] [ 0.500178 0.499822 0.350883 ] [ 0.999644 0.499822 0.350883 ] [ 0.499822 0.500178 0.850883 ] [ 0.176831 0.353663 0.942837 ] [ 0.01867 0.509335 0.646816 ] [ 0.175853 0.351706 0.552818 ] [ 0.824147 0.175853 0.052818 ] [ 0.490665 0.509335 0.646816 ] [ 0.648294 0.824147 0.552818 ] [ 0.98133 0.490665 0.146816 ] [ 0.822635 0.177365 0.758664 ] [ 0.509335 0.490665 0.146816 ] [ 0.509335 0.01867 0.146816 ] [ 0.499822 0.999644 0.850883 ] [ 0.645271 0.822635 0.258664 ] [ 0.823169 0.646337 0.442837 ] [ 0.175853 0.824147 0.552818 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Li" "Li" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.8464432451 "source-unit" "angstrom" } "c" { "source-value" 24.33998835 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.8950059532 "source-unit" "eV" } }