{ "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" [ [ 0.253491 0.842102 0.676816 ] [ 0.588611 0.746509 0.343483 ] [ 0.157898 0.411389 0.01015 ] [ 0.671579 0.542371 0.912937 ] [ 0.457629 0.129208 0.24627 ] [ 0.870792 0.328421 0.579603 ] [ 0.157361 0.990214 0.988412 ] [ 0.629927 0.007938 0.932303 ] [ 0.992062 0.621989 0.265636 ] [ 0.832853 0.842639 0.655078 ] [ 0.378011 0.370073 0.598969 ] [ 0.009786 0.167147 0.321745 ] [ 0.356622 0.904821 0.845357 ] [ 0.995201 0.722758 0.070088 ] [ 0.283849 0.818634 0.312965 ] [ 0.727557 0.004799 0.736754 ] [ 0.534785 0.716151 0.979632 ] [ 0.904482 0.814758 0.334199 ] [ 0.095179 0.451802 0.178691 ] [ 0.548198 0.643378 0.512024 ] [ 0.181366 0.465215 0.646299 ] [ 0.958093 0.8283 0.847588 ] [ 0.603149 0.572486 0.738776 ] [ 0.965242 0.687774 0.594989 ] [ 0.277242 0.272443 0.403421 ] [ 0.6926 0.432916 0.236336 ] [ 0.312226 0.277468 0.928323 ] [ 0.1717 0.129793 0.180921 ] [ 0.185242 0.089724 0.667533 ] [ 0.567084 0.259684 0.569669 ] [ 0.969337 0.396851 0.405442 ] [ 0.427514 0.030663 0.072109 ] [ 0.740316 0.3074 0.903002 ] [ 0.722532 0.034758 0.261656 ] [ 0.870207 0.041907 0.514255 ] [ 0.910276 0.095518 0.000866 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 7.02374068 "source-unit" "angstrom" } "c" { "source-value" 10.7111138 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.386321720555555 "source-unit" "eV" } }