structure opt. Si35BC10N11O43H31 from jo
           1
    11.367615    0.000000    0.000000
     0.000000   11.367615    0.000000
     0.000000    0.000000   11.367615
   Si   C    N    H    B    O 
    35    10    11    31     1    43
Direct configuration=     1
   0.95171340  0.07674867  0.76632606
   0.95885127  0.30459865  0.50296979
   0.25581188  0.52710220  0.84899355
   0.37292282  0.25472962  0.55569735
   0.28649241  0.53274259  0.50640470
   0.40842840  0.34270493  0.30361303
   0.53713423  0.19905400  0.84058037
   0.68817867  0.53916039  0.56806061
   0.14447747  0.48574770  0.06902756
   0.88659147  0.48989691  0.03861684
   0.14935519  0.70696976  0.85163710
   0.02086386  0.93514931  0.54819750
   0.35777542  0.07734760  0.00701699
   0.17127771  0.88721823  0.17365484
   0.44890189  0.04438096  0.42941503
   0.50652833  0.77471398  0.27241201
   0.35724174  0.13925535  0.28509814
   0.45867906  0.69933102  0.03200303
   0.70588274  0.80392243  0.26109092
   0.81667662  0.90319498  0.92177873
   0.36963611  0.85371544  0.84646537
   0.79580788  0.13448311  0.09278609
   0.52125877  0.41520020  0.86483162
   0.85591874  0.45394710  0.77425919
   0.67287505  0.27647696  0.49752239
   0.46349510  0.58041631  0.43417253
   0.58869675  0.10047306  0.58691044
   0.58137314  0.47881108  0.12307915
   0.78260193  0.98667291  0.43645501
   0.06726708  0.66813268  0.54938384
   0.64774127  0.13038497  0.29203500
   0.15310645  0.14663823  0.43779887
   0.80731460  0.55622705  0.21757273
   0.02409091  0.71802655  0.01814382
   0.94176815  0.51572687  0.46727328
   0.06832071  0.19796767  0.71623482
   0.23822796  0.42355287  0.71549133
   0.20486871  0.47191704  0.37475250
   0.57363242  0.51953504  0.75154244
   0.06665471  0.35122127  0.13425019
   0.06407642  0.75351257  0.70563076
   0.19042803  0.07339693  0.00373912
   0.38033563  0.89788288  0.46835287
   0.28394961  0.54707753  0.12491247
   0.70235601  0.89135737  0.12337787
   0.02047917  0.29346236  0.64246515
   0.32718187  0.41884237  0.61513909
   0.26391011  0.39373165  0.29405711
   0.69021738  0.55493502  0.72179583
   0.95702274  0.36211976  0.06511683
   0.12259411  0.86895379  0.66967927
   0.13362829  0.96806686  0.05221428
   0.39939008  0.84348231  0.35110444
   0.31841486  0.63105960  0.02167100
   0.79945759  0.96410708  0.09167006
   0.40687506  0.94847215  0.95864421
   0.13284431  0.14474513  0.66746284
   0.11598764  0.24075934  0.78920448
   0.96982263  0.34938884  0.69094810
   0.15125406  0.43206509  0.67301326
   0.23407838  0.33669076  0.75941010
   0.40762903  0.44498047  0.64484401
   0.16813091  0.55426501  0.33659776
   0.13309851  0.42766890  0.42571477
   0.20198726  0.34474133  0.25259463
   0.52106292  0.59638143  0.77726335
   0.53003070  0.47724534  0.67693902
   0.70795523  0.63661264  0.75615771
   0.04952297  0.32797350  0.22660165
   0.11835184  0.28106922  0.09403939
   0.90507752  0.28788513  0.07320022
   0.13772100  0.92122822  0.73533908
   0.97441125  0.78618178  0.72475828
   0.21774403  0.85639845  0.64500337
   0.15795133  0.07718244  0.91190058
   0.15650350  0.15124557  0.05093590
   0.06077229  0.94630445  0.00467686
   0.28613390  0.90573304  0.47990063
   0.41090004  0.85209173  0.54514812
   0.32015395  0.83589263  0.30619592
   0.31154528  0.58279833  0.20988164
   0.33514379  0.46894202  0.10307650
   0.26608089  0.70591494  0.02438531
   0.62547186  0.94995956  0.11819777
   0.68617926  0.81987191  0.05728385
   0.87465584  0.94168410  0.13635730
   0.48854691  0.92776233  0.98928097
   0.77308703  0.21792279  0.83155764
   0.76857384  0.34430942  0.83818622
   0.67255518  0.16837894  0.89053991
   0.64428399  0.40489822  0.55590510
   0.47336488  0.63172899  0.30104738
   0.58587072  0.61950843  0.50398172
   0.53620735  0.11405297  0.72521825
   0.82688035  0.15730226  0.74578796
   0.48058822  0.40129206  0.19031785
   0.58679811  0.40581871  0.99796288
   0.69894297  0.01252687  0.55271298
   0.74417190  0.85807536  0.38859801
   0.02697892  0.79436263  0.48860866
   0.91984270  0.98203051  0.44434241
   0.61303949  0.26007691  0.35726450
   0.65815400  0.15686882  0.15035236
   0.20966964  0.13467345  0.30927875
   0.23383453  0.21898424  0.52946914
   0.78619450  0.69292421  0.23129793
   0.69517307  0.47253818  0.22073967
   0.02657217  0.57402679  0.06885133
   0.85386305  0.53287342  0.90332078
   0.81015528  0.57381135  0.50136850
   0.91770305  0.53029714  0.31238023
   0.39028507  0.87986571  0.71292596
   0.77715765  0.08123004  0.32349485
   0.45544657  0.73955436  0.89187463
   0.90403011  0.77342242  0.96252359
   0.03232856  0.22229706  0.41321404
   0.13581735  0.01801870  0.50206781
   0.94380524  0.00345770  0.88820941
   0.08037691  0.78307787  0.13846453
   0.37579364  0.10055106  0.14464920
   0.38473986  0.48161263  0.87690715
   0.46210261  0.43258228  0.41297418
   0.17217255  0.44144585  0.93348150
   0.45117507  0.80038734  0.13706916
   0.21046798  0.62733240  0.56752256
   0.23310262  0.81482408  0.88985431
   0.94245867  0.97362094  0.66702559
   0.55466660  0.03104825  0.33131106
   0.56224027  0.61558323  0.08987545
   0.81804476  0.27370706  0.48471056
   0.42437458  0.18738537  0.93289346