structure opt. SiCONB type 1 3(SiO)B fro
1.00000000000000
10.1600000000000001 0.0000000000000000 0.0000000000000000
0.0000000000000000 10.1600000000000001 0.0000000000000000
0.0000000000000000 0.0000000000000000 10.1600000000000001
Si O N C B H
25 31 8 7 1 22
Direct
0.5227334490245598 0.6317328493890036 0.8528858019256996
0.7759225338874902 0.5428266608781749 0.7902832069747284
0.3606398080284979 0.4621712132764758 0.0364072718039672
0.2097545814989242 0.8110590076477944 0.2666241079753678
0.6855210097725863 0.8291483039111935 0.0309013165888991
0.5995735895906276 0.5688765067832449 0.6575553285870872
0.2192392935041785 0.1326721476409396 0.4967058022080230
0.5252668455745000 0.4346333196334404 0.2989430745941388
0.5348631615750173 0.1037934555419721 0.9281410648650038
0.0378506218401550 0.4879282997444145 0.5412339121502744
0.4280247954212677 0.0025085094327667 0.6816200612801240
0.2136202718931063 0.2464459904320756 0.9679728132637819
0.9916078211570037 0.1155377969739130 0.8734227047864892
0.8462136750075333 0.8739779013411535 0.4131147435754656
0.5956260553449272 0.1605807455717497 0.2054076385411582
0.9764220303763840 0.6932898149692085 0.0730641110718704
0.8682590012326891 0.3408218693421982 0.7175351306846026
0.6037191602026227 0.2380844865336863 0.6854960950566228
0.1359137341951586 0.2108436362647141 0.2342687246466112
0.5695568041811705 0.8193850898343669 0.5258001397758310
0.0314703240507512 0.9413728108855971 0.6358305915198271
0.4920360055104836 0.8744345574287508 0.2477555322600088
0.0249173292970239 0.6896325642038050 0.7709812039497893
0.8170205590671602 0.5789953803816801 0.3235323310075512
0.9127546517095952 0.1251845139023295 0.1745006460832650
0.6160678831420967 0.7391668496269865 0.9182088710082701
0.4774417965675469 0.4660016626106862 0.1467583071312604
0.2008575041496945 0.1019128684382766 0.3397194855218602
0.2226382864868958 0.1611020272290649 0.1041999980120326
0.3525002736692766 0.3279373229672822 0.9401232535913133
0.5979974581939806 0.7913304684944746 0.1617022248668023
0.6146939579037549 0.6666109890929250 0.5326058558580712
0.4119131529835547 0.0386756900906787 0.8389215863778319
0.5026274365260560 0.1633140506980213 0.0730753005003599
0.8062246838336078 0.7375495454934762 0.3401332534145374
0.5948951840087283 0.2292194211213274 0.8458649367018436
0.5367039985815326 0.1082205189437349 0.6264451392301941
0.0487507142685077 0.6592051407064876 0.9288342469377642
0.1506033772477530 0.1483726538680086 0.8567818267991176
0.1748145804178889 0.4783646006073665 0.4584163528893410
0.3982555284568698 0.4719885341095802 0.3948427019736659
0.8643033205096298 0.6841842988483419 0.7571956824362344
0.1001417539455228 0.7622270111254028 0.1554563529941826
0.7611199054920610 0.2389580548938502 0.6442035765929759
0.9182013377933678 0.2578434132923925 0.8475054687962366
0.6678996688727730 0.5097077197824382 0.3217655873319561
0.4730858428603836 0.8186742967341538 0.3970998007849236
0.4850593799221267 0.8518541693593166 0.6630436100439571
0.9699128361966382 0.8485547850212701 0.5158362284169488
0.3445914854675623 0.8625150450705836 0.1820112674556145
0.5651686095344802 0.0163471208894097 0.2679595909899751
0.0779473654303967 0.5732198529833801 0.6722645982454545
0.9886994096285123 0.3480870665859418 0.6062977075158889
0.9163864728306562 0.5311683651429769 0.4447455978042781
0.2924314993815195 0.2791233119840553 0.4984970780275542
0.9587177423500273 0.0694183719153097 0.0262425872726592
0.3823001460993738 0.5992265427426424 0.9389460092879247
0.8521666984390244 0.8065213348632471 0.0501515749846647
0.3116024064324578 0.0089906729080295 0.5634430865589493
0.1211921284128367 0.8244655197740901 0.7234752001904674
0.5441891486308269 0.2692947895682881 0.3212266046225446
0.7580265818414476 0.1959166210262104 0.1591587413709588
0.0776840360367293 0.0962111254999081 0.5776302060184143
0.2034043664955959 0.4576590739819014 0.0986959394970270
0.6696604721320004 0.9875282328328369 0.9450629840440274
0.5406645178987978 0.3982332824271748 0.6360750106771162
0.9157786928995034 0.0053118959325063 0.3090508612945173
0.1099889412174826 0.3900897703093741 0.0098120368275504
0.9179130614228451 0.9902595252090874 0.7670552695929134
0.7079442490760185 0.9312840143176337 0.5131386245478329
0.9066436554221391 0.5470412400907214 0.1657644815462316
0.2909759212826129 0.4079213547851090 0.4508132697480888
0.2966244970462111 0.6223632057314872 0.8905345342491171
0.8945352563144131 0.8965777296910704 0.0297253039143265
0.3113666631266107 0.9257555164756663 0.5062635568807023
0.1968453302728496 0.7846017928648031 0.6697621725575850
0.4772481807444918 0.2318628285402991 0.3866099639929426
0.7571026854528262 0.2636460847893284 0.0841370819663458
0.0052580678004495 0.1655745308194942 0.5798544923972779
0.1684489148187926 0.5288131778271037 0.1597968401454218
0.6883567694233274 0.9515287372611134 0.8447108899304707
0.9215107246977030 0.0808947086975716 0.3882770273302379
0.0778205854471467 0.4494616223322439 0.9257352700387380
0.8307716522763782 0.0409425980640291 0.7288405027509273
0.7422186792504256 0.9454835237435310 0.6143470854045221
-0.0130611296342931 0.4818060745176654 0.1981557865637533
0.7527469635612911 0.0511466010950492 0.9695198519986418
0.0188171691726583 0.9694723042297830 0.3069437527429907
0.0213674340100755 0.3596965745872986 0.0633860884417920
0.8878338898829139 0.9048329516703741 0.8255231530698554
0.6739264447207741 0.0262551102772099 0.4769290641451522
0.8455143153551634 0.4900750756092244 0.0960523476062994
0.5629577133845826 0.4116044956456324 0.7469021723745987
0.6400565095387402 0.3990837895894011 0.5872224099897684
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00