{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.282862 ] [ 0.666667 0.333333 0.012995 ] [ 0.666667 0.333333 0.891344 ] [ 0.333333 0.666667 0.982408 ] [ 0.333333 0.666667 0.719421 ] [ 0.666667 0.333333 0.692985 ] [ 0.333333 0.666667 0.308439 ] [ 0.666667 0.333333 0.407295 ] [ 0.333333 0.666667 0.110784 ] [ 0.333333 0.666667 0.59391 ] [ 0 0 0.203156 ] [ 0 0 0.500468 ] [ 0 0 0.804125 ] [ 0.058455 0.33106 0.150384 ] [ 0.666269 0.75565 0.550483 ] [ 0.986605 0.416459 0.347982 ] [ 0.008401 0.320329 0.747917 ] [ 0.59313 0.57105 0.947959 ] [ 0.733852 0.063983 0.844807 ] [ 0.757541 0.089376 0.45085 ] [ 0.417237 0.431883 0.653891 ] [ 0.674734 0.004684 0.253646 ] [ 0.020934 0.593851 0.048703 ] [ 0.572916 0.979066 0.048703 ] [ 0.330132 0.266148 0.844807 ] [ 0.568117 0.985354 0.653891 ] [ 0.32995 0.325266 0.253646 ] [ 0.910624 0.668166 0.45085 ] [ 0.08938 0.333731 0.550483 ] [ 0.679671 0.688072 0.747917 ] [ 0.429853 0.013395 0.347982 ] [ 0.66894 0.727395 0.150384 ] [ 0.42895 0.02208 0.947959 ] [ 0.97792 0.40687 0.947959 ] [ 0.311928 0.991599 0.747917 ] [ 0.583541 0.570147 0.347982 ] [ 0.24435 0.91062 0.550483 ] [ 0.272605 0.941545 0.150384 ] [ 0.406149 0.427084 0.048703 ] [ 0.995316 0.67005 0.253646 ] [ 0.014646 0.582763 0.653891 ] [ 0.331834 0.242459 0.45085 ] [ 0.936017 0.669868 0.844807 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 5.23531317 "source-unit" "angstrom" } "c" { "source-value" 23.4626645 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.180162021162792 "source-unit" "eV" } }