# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 38.162213 34.097051 36.785252 6.293299 2.214720 41588.617821 2 43.113966 33.370927 36.763511 3.769268 2.202028 4467.102169 3 45.095274 28.631587 36.531937 3.878937 2.205346 4609.955163 4 41.814614 24.560290 36.300500 3.905530 2.277509 4789.496452 5 36.648989 25.408986 36.322242 3.873292 2.318136 4610.094955 6 34.960147 30.258656 36.575282 3.780953 2.215393 4453.255815 7 45.188999 36.869103 36.949950 0.885593 1.388751210862.740653 8 49.138126 28.165663 36.537450 0.913010 1.275048166383.457062 9 43.270247 20.754607 36.106884 0.908381 1.349114170680.516779 10 33.948236 22.370226 36.153944 0.914301 1.403312165027.961222 11 31.076692 31.483135 36.632104 0.877464 1.207055200844.047380 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0000 VACUUM VOLUME: 0.0000 NUMBER OF ELECTRONS: 30.0000