index level keyset energy_total_value energy_nuclear_repulsion_value energy_electron_coulomb_value energy_electron_exchange_value energy_correlation_value energy_overlap_value energy_kinetic_value energy_hcore_value energy_total_contribution energy_nuclear_repulsion_contribution energy_electron_coulomb_contribution energy_electron_exchange_contribution energy_correlation_contribution energy_overlap_contribution energy_kinetic_contribution energy_hcore_contribution 0 1 {0} -40.18038993 13.43691297 32.61702034 -6.564735648 0 5 40.20993604 -119.8795236 -40.18038993 13.43691297 32.61702034 -6.564735648 0 5 40.20993604 -119.8795236 1 1 {1} -40.18037566 13.43284734 32.61287197 -6.564210629 0 5 40.20807435 -119.8699587 -40.18037566 13.43284734 32.61287197 -6.564210629 0 5 40.20807435 -119.8699587 2 1 {6} -40.18038816 13.43640541 32.61650248 -6.564670102 0 5 40.20970359 -119.8783295 -40.18038816 13.43640541 32.61650248 -6.564670102 0 5 40.20970359 -119.8783295 3 1 {7} -40.18037566 13.43284739 32.61287198 -6.564210625 0 5 40.20807436 -119.8699588 -40.18037566 13.43284739 32.61287198 -6.564210625 0 5 40.20807436 -119.8699588 4 1 {12} -40.1803882 13.43640539 32.61650249 -6.564670114 0 5 40.2097036 -119.8783296 -40.1803882 13.43640539 32.61650249 -6.564670114 0 5 40.2097036 -119.8783296 5 1 {13} -40.18037741 13.4333549 32.61338975 -6.564276169 0 5 40.20830681 -119.8711527 -40.18037741 13.4333549 32.61338975 -6.564276169 0 5 40.20830681 -119.8711527 6 2 {0,1} -79.19642678 42.35948136 80.10518334 -12.46958252 0 9 79.30588659 -268.4973955 1.164338809 15.48972104 14.87529104 0.6593637551 0 -1 -1.112123801 -28.74791322 7 2 {1,6} -79.19642785 42.35875999 80.10443682 -12.46951436 0 9 79.30563755 -268.4957479 1.16433598 15.48950723 14.87506237 0.6593663752 0 -1 -1.112140392 -28.74745961 8 2 {6,7} -79.19643465 42.34889743 80.09464967 -12.46914677 0 9 79.30410062 -268.4749356 1.164329166 15.47964462 14.8652752 0.6597339595 0 -1 -1.113677327 -28.72664729 9 2 {7,12} -79.19642787 42.35876 80.10443681 -12.46951436 0 9 79.30563757 -268.4957479 1.164335984 15.48950723 14.87506234 0.6593663753 0 -1 -1.112140388 -28.74745958 10 2 {12,13} -79.1964268 42.35948134 80.10518329 -12.46958253 0 9 79.30588661 -268.4973955 1.164338811 15.48972106 14.87529105 0.6593637551 0 -1 -1.112123801 -28.74791325 11 3 {0,1,6} -118.2143337 83.02424587 139.3349982 -18.37392136 0 13 118.4061881 -440.6058446 -0.00185473094 11.73885186 11.73825005 0.000964883186 0 4.440892099e-14 0.002738355094 -23.48265988 12 3 {1,6,7} -118.2143329 83.00532869 139.3159874 -18.3730179 0 13 118.4027407 -440.5653718 -0.001858588768 11.73407669 11.73340335 0.0009731205297 0 -2.664535259e-15 0.002706131245 -23.47301788 13 3 {6,7,12} -118.2143443 83.00921025 139.3199987 -18.37347761 0 13 118.4043588 -440.5744344 -0.001857447363 11.73440021 11.73378416 0.0009728981724 0 3.730349363e-14 0.002694994925 -23.4737097 14 3 {7,12,13} -118.2143223 83.02036394 139.3309866 -18.37346168 0 13 118.4045701 -440.5967813 -0.001855863659 11.73852798 11.73786894 0.0009650996739 0 3.019806627e-14 0.002749521626 -23.48196741 15 4 {0,1,6,7} -157.2317294 131.5769343 206.4667833 -24.27836282 0 17 157.5063969 -628.5034811 0.0005093680056 7.906119722 7.920234521 -0.0009379134801 0 -1.154631946e-14 0.003105580804 -15.82801254 16 4 {1,6,7,12} -157.2317328 131.5720127 206.4618851 -24.27828635 0 17 157.5061042 -628.4934484 0.0005098108832 7.90637118 7.92054877 -0.0009376090888 0 -7.105427358e-14 0.003105269555 -15.8285778 17 4 {6,7,12,13} -157.2317294 131.5769339 206.466783 -24.27836283 0 17 157.5063969 -628.5034804 0.0005093666459 7.906119734 7.92023458 -0.0009379106704 0 -5.684341886e-14 0.003105571757 -15.82801261 18 5 {0,1,6,7,12} -196.249041 186.4739652 279.9482597 -30.18381183 0 21 196.6107057 -829.0981598 8.824046128e-05 6.330346864 6.335578619 -0.0001805574638 0 7.371880884e-14 0.0009453704492 -12.66660206 19 5 {1,6,7,12,13} -196.2490297 186.4700285 279.9441482 -30.18335192 0 21 196.6090866 -829.0889411 8.813837205e-05 6.330292143 6.33547872 -0.0001803421307 0 3.375077995e-14 0.0009443591979 -12.66644674 20 6 {0,1,6,7,12,13} -235.2663343 246.4308225 358.49334 -36.08884479 0 25 235.713895 -1039.815547 3.68005297e-06 5.058841552 5.062817253 3.261022049e-05 0 -1.421085472e-14 0.0002068198188 -10.12189456