structure opt. SiCONB type 4 (SiO)2B(NC-
1.00000000000000
10.1600000000000001 0.0000000000000000 0.0000000000000000
0.0000000000000000 10.1600000000000001 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.1600000000000001
Si O C N B H
25 31 7 8 1 22
Direct
0.5451409148530821 0.6179645956719707 0.8445092264731858
0.7613180112041340 0.5571942980595097 0.7689590913959169
0.3808206889766528 0.4300240019537501 -0.0035900464319224
0.1987622300413656 0.7972649622265887 0.2352728003894038
0.6676159517135967 0.8229206389611021 0.0351969736526599
0.5764802962837392 0.5458472041513104 0.6339349360613808
0.2214604151749632 0.1282683537689882 0.5062359286860895
0.5352386886843651 0.4524598508053120 0.2604369791012499
0.5285687996361368 0.1035900599539026 0.9301568284563461
0.0181811013415855 0.4803073039562680 0.5420471105516380
0.4408177445550552 0.0073706964410659 0.6768646668213332
0.2128883483024875 0.2529101021400755 0.9794124033009807
0.9682852761725753 0.1283421135734491 0.8890916002176770
0.8576833100044419 0.8633518294565907 0.4158538790261666
0.5765510866281218 0.1654077165326416 0.2168336272339151
0.9701480342597943 0.6810727641864401 0.0537541901435226
0.8607967948758883 0.3566810876495728 0.7502152150964094
0.6059329672324884 0.2521852685522840 0.6962496382441349
0.1194308444213888 0.1980362959510632 0.2377674157195753
0.5690882596192397 0.8084802614493820 0.5213519440572928
0.0230825901465553 0.9541887311859755 0.6486818512754172
0.4802338728853229 0.8881826240197646 0.2582522507819042
0.0165644514985203 0.6912308084134975 0.7576986391541963
0.8312958943373798 0.5682260142186542 0.3115109013983135
0.8973592484050982 0.1145653198592275 0.1836095010256706
0.5620044497940322 0.7323374316695368 0.9536907639472736
0.4094644338803641 0.5413085149160876 0.8867164494499593
0.5043023506009675 0.4433110550787768 0.1000473893386620
0.1974159613351721 0.1056149801647765 0.3484782285124074
0.2107281117824285 0.1568480695681526 0.1089136154117811
0.3592168634874578 0.2855141370406190 0.9151895510243799
0.5352113701854098 0.3861859509922504 0.6456754967287747
0.6061210868824278 0.8205251597561535 0.1853520310436811
0.6044087185963397 0.6520301369293432 0.5133241458414873
0.4127450213767421 0.0387324237271288 0.8326764571859682
0.4929496964824215 0.1505451076621133 0.0791530713110536
0.8411756880573891 0.7251819430225359 0.3380107877112579
0.5986399766578980 0.2306722330751342 0.8551759509491268
0.5442730178612845 0.1221415426158818 0.6262665873302780
0.0291387247968241 0.6285553584500176 0.9081452040764048
0.1224808067580607 0.1750003447167056 0.8716139188870571
0.8543716797866824 0.6932378132398251 0.7379193679389677
0.0979398021853801 0.7697948498578211 0.1097420950947385
0.7615672228126974 0.2631956021765940 0.6596310882738816
0.8910963967924126 0.2721580273270234 0.8858012800368704
0.6820715499715164 0.5188099618371314 0.2762934472455474
0.4573757577145610 0.8245753992551363 0.4048706570497119
0.5009190807660659 0.8565302302289182 0.6617301001054777
0.9749633346411331 0.8551270898970877 0.5279377301879222
0.3421976285866011 0.8624847822398151 0.1767043228546545
0.5305310620239668 0.0352162418697420 0.2979201894952887
0.0738180703557141 0.5982178078330639 0.6373460183728409
0.9894055044938115 0.3632127037802290 0.6518377144639774
0.8865756779313343 0.5000160876007712 0.4497624107605854
0.3015649969480834 0.2719636615203054 0.5209740584111545
0.9428279825419662 0.0614439948761740 0.0348738704011569
0.6578503167280904 0.9782065613796391 0.9430783510474482
0.9246862399654332 -0.0064330512117492 0.3117342041313702
0.2071497146691857 0.4245135939460430 0.0497811113919029
0.8994511323774255 0.0132170756416940 0.7663438921236091
0.3962811209424572 0.5415927375988201 0.3397202960188213
0.7114666707937135 0.9145545452583063 0.5062454391901590
0.9383706901981602 0.5379039702309525 0.1655809078700348
0.8352422644373559 0.7849711067606313 0.0355513181045548
0.3142454135604955 0.0036109746580065 0.5684713560649004
0.1409209841586847 0.4330517116296538 0.4404430273801844
0.1020067038516695 0.8389575907373806 0.7487211853623402
0.5293997718031067 0.2934794985250556 0.3125642556897435
0.7439485486261600 0.1863878910318696 0.1752653664282610
0.0781168336987413 0.1040822065995639 0.5881213851451393
0.3714510340942020 0.5085197584112916 0.4818493176220461
0.2720889088425694 0.3987077275961899 0.4859086621240859
0.8783139976674621 0.8758695985016265 0.0186612976981564
0.3226185175886219 0.9250714892032520 0.5061481452009823
0.2009018369000616 0.8255223787572411 0.7405165363127327
0.4938251284058879 0.2731953921566039 0.4045668253036370
0.7462120333431191 0.2617714533882495 0.1072948657535843
0.0183627963621356 0.1826464742361811 0.6069342184927612
0.6707830683779007 0.9400928798149837 0.8425320695177612
0.9520294566926493 0.0604624725207893 0.3938274133262779
0.1498685913451651 0.5002160705868175 0.9998019339196712
0.8179767825388758 0.0657943369365805 0.7197845741378399
0.4142129190768393 0.6470780014293741 0.3329800409130381
0.7449241099146687 0.9227523572144227 0.6087394920675926
0.0351132361738585 0.5126195212564463 0.2070728661072175
0.7453227769921833 0.0368440142367574 0.9645725656875637
0.0218488792338140 0.9514498514862297 0.2844324529370537
0.1871033741514231 0.4236012581638569 0.1557737308420715
0.8618741736999010 0.9272203530547484 0.8189181540208916
0.3075473383837515 0.5232769038503322 0.2788323705846071
0.6789306563841224 0.0127353609423057 0.4764200987915794
0.9070093998533846 0.4520929343684086 0.1074308522118366
0.3209900689779109 0.5883829459922703 0.5179491465980838
0.1068363718477203 0.3651849770459276 0.3693886226056616
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00