# atom_indices
0 1 2 17 83 127 249
# charges
-0.13309468880666014 -0.15003694847064536 -0.14256134129566003 -0.10742553298078333 -0.13668823003884406 0.11846388804457628 0.12036763807809697
# charge_norm charge_sum charge_min charge_max
1.8807515438966345 -5.3290705182007514e-15 -0.17188589027770992 0.12975500986575972
# bec_raw9 for the selected atoms
-1.1995414943635743 0.00087489421932972124 -0.031592395786347809 -0.0051464627240501749 -1.1421846176862838 -0.02830591810699588 -0.038157207927863382 -0.023823840277132143 -1.2317031810891437
-1.2712950309439903 -0.012812376266637672 -0.0066135165285484791 -0.011810335415506454 -1.2155967353123598 -0.022617607362094391 0.0028426346380300096 -0.028156923464354725 -1.3967159037870784
-1.1630009026915469 -0.036157510524767872 -0.018515777508625236 -0.031705553544565286 -1.1360825164819048 0.021426954649605569 -0.029175268497597398 0.014866488422450523 -1.3094873049779907
-1.0921244384682742 -0.089928150251274652 -0.0059493687610813429 -0.088011756720776213 -1.2197449082832164 -0.028551584531836136 -0.017475042041211447 -0.021901194873841977 -1.2791886518987412
-1.2099164562101297 0.031320623634431527 0.040550725552987839 0.020718294459670893 -1.2443339161906337 0.010436466723761447 0.038646337916377116 0.0054079271004810556 -1.2930324364098933
1.1493536480768842 0.0093073865567452896 0.050959911303870072 0.041985954386214823 1.0930202526895014 -0.032702599441545972 0.04337804373634567 -0.040658165997861956 1.1645171371021947
1.253629528081573 0.034445252733648873 -0.058190822698354801 0.032650318743158324 1.2439929955333646 0.024453837083955109 -0.022442518573819559 0.035613846443029902 1.23981904542838
# bec_norm bec_sum bec_min bec_max
33.01103742829075 0.0 -1.5064159513386266 1.5705019283237602
# total_energy
-932.95176369521539
