./iterations/neb0_image08_iter4.sci output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
#MD System 2.0
@Title neb0_image08
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6 {} {0.371324156969 0.580353149161 0.411288676271} C1 1 1
14 {} {0.34811606066 0.553542029372 0.521956777874} Si1 2 1
14 {} {0.433106824275 0.590228326958 0.406978627987} Si2 3 1
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8 {} {0.446025531904 0.642925987962 0.323594114341} O4 9 1
14 {} {0.242699690314 0.556326513417 0.55624929821} Si3 10 1
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14 {} {0.200539932571 0.469953824346 0.697869175316} Si4 12 1
14 {} {0.223566307634 0.410559880669 0.515363476915} Si5 13 1
7 {} {0.217487968313 0.431929866345 0.405031791553} N2 14 1
7 {} {0.150098590092 0.509014206152 0.717959044721} N3 15 1
1 {} {0.361377192867 0.544506596965 0.358999314911} H1 16 1
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1 {} {0.185973523152 0.365862732275 0.541948344995} H17 32 1
1 {} {0.244488390629 0.446400271851 0.368859151943} H18 33 1
1 {} {0.189456699425 0.45513931466 0.382726030214} H19 34 1
1 {} {0.149331693871 0.558588068597 0.733037717852} H20 35 1
1 {} {0.122066493688 0.495260636438 0.684460373819} H21 36 1
6 {} {0.619454438018 0.61243458888 0.351691683804} C4 37 1
14 {} {0.577059990268 0.549799853656 0.389134767637} Si6 38 1
14 {} {0.613919425902 0.700927252562 0.388190924991} Si7 39 1
8 {} {0.528290316539 0.588876126984 0.383417215855} O5 40 1
8 {} {0.577143656824 0.485611594651 0.322083870022} O6 41 1
6 {} {0.587376254188 0.517965641531 0.503984629073} C5 42 1
6 {} {0.631941811169 0.717966652941 0.505378679181} C6 43 1
8 {} {0.558874512196 0.715735329525 0.37664185182} O7 44 1
8 {} {0.64162575548 0.750193170328 0.318399480073} O8 45 1
14 {} {0.570657551166 0.424940516724 0.248998769859} Si8 46 1
7 {} {0.583261771601 0.347003741192 0.292077195873} N4 47 1
14 {} {0.539563994877 0.290608805758 0.315536875004} Si9 48 1
14 {} {0.637752873934 0.321599777797 0.317351386279} Si10 49 1
7 {} {0.678888762221 0.367749863811 0.26619812637} N5 50 1
7 {} {0.515610285637 0.247456654017 0.228689100446} N6 51 1
1 {} {0.652854697806 0.594092370326 0.370474346967} H22 52 1
1 {} {0.618712393791 0.613217955832 0.278040426241} H23 53 1
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1 {} {0.561312617827 0.48242373828 0.524322873451} H26 56 1
1 {} {0.588330024949 0.558476733315 0.553617743678} H27 57 1
1 {} {0.626696871221 0.770741509571 0.523581632902} H28 58 1
1 {} {0.667544296047 0.706567646868 0.514772591062} H29 59 1
1 {} {0.612982352665 0.68741209916 0.553174679038} H30 60 1
1 {} {0.548515129165 0.761650245781 0.37378493784} H31 61 1
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1 {} {0.533119341393 0.212122166686 0.194787543116} H42 72 1
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