{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_1" } "basis-atom-coordinates" { "source-value" [ [ 0.977097 0.001317 0.99529 ] [ 0.02422 0.022903 0.661957 ] [ 0.998683 0.97578 0.328624 ] [ 0.315971 0.669991 0.17117 ] [ 0.35402 0.684029 0.837836 ] [ 0.330009 0.64598 0.504503 ] [ 0.668816 0.317076 0.837898 ] [ 0.64826 0.331184 0.504564 ] [ 0.682924 0.35174 0.171231 ] [ 0.998783 0.649298 0.240195 ] [ 0.350702 0.349485 0.573528 ] [ 0.650515 0.001217 0.906862 ] [ 0.011585 0.368476 0.756407 ] [ 0.000001 0.348361 0.087592 ] [ 0.985838 0.352538 0.424481 ] [ 0.999017 0.652538 0.576159 ] [ 0.000094 0.650911 0.910615 ] [ 0.3667 0.014162 0.091148 ] [ 0.356891 0.988415 0.423074 ] [ 0.34836 0.999999 0.754258 ] [ 0.347462 0.346479 0.909493 ] [ 0.349089 0.349183 0.243949 ] [ 0.653521 0.000983 0.242826 ] [ 0.650817 0.999906 0.577282 ] [ 0.631524 0.643109 0.08974 ] [ 0.647462 0.6333 0.757815 ] [ 0.651639 0.65164 0.420925 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.22206893 "source-unit" "angstrom" } "c" { "source-value" 13.7266865 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.371204461481482 "source-unit" "eV" } }