./iterations/neb0_image01_iter24.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_image01
@Columns AsymmetricAtom
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Connections string {{}}
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Name string {{}}
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6 {} {0.358167568023 0.546641647935 0.413961208073} C1 1 1
14 {} {0.334769318355 0.52010863526 0.524767114122} Si1 2 1
14 {} {0.419853070447 0.557453294424 0.409674404386} Si2 3 1
8 {} {0.347931034526 0.57684604117 0.600706004467} O1 4 1
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8 {} {0.432979023403 0.608889506065 0.326746829117} O4 9 1
14 {} {0.229384652882 0.522771471721 0.558950169709} Si3 10 1
7 {} {0.209756352844 0.444731770384 0.593107348461} N1 11 1
14 {} {0.187292361997 0.436467621467 0.700576318464} Si4 12 1
14 {} {0.210288974783 0.377048272599 0.518053853096} Si5 13 1
7 {} {0.204236362236 0.398179358294 0.407614264706} N2 14 1
7 {} {0.136887683136 0.475526125434 0.7207558989} N3 15 1
1 {} {0.348117515121 0.510847340272 0.361722714263} H1 16 1
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1 {} {0.441458611077 0.452890937326 0.332106007169} H8 23 1
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1 {} {0.172706341074 0.332413852909 0.54470649193} H17 32 1
1 {} {0.231218297578 0.412850949916 0.371612490749} H18 33 1
1 {} {0.176246894769 0.421613362482 0.385509946481} H19 34 1
1 {} {0.136093006242 0.525097159506 0.735768109166} H20 35 1
1 {} {0.108857776656 0.461701884398 0.68731825527} H21 36 1
6 {} {0.632685916964 0.645990546357 0.348978023214} C4 37 1
14 {} {0.58956004545 0.583468594137 0.386338762585} Si6 38 1
14 {} {0.62703573828 0.734473086917 0.385501738412} Si7 39 1
8 {} {0.53923153352 0.618905903379 0.380649251456} O5 40 1
8 {} {0.590384562678 0.518985110207 0.319346460378} O6 41 1
6 {} {0.600619284125 0.551589392269 0.501294487084} C5 42 1
6 {} {0.645221305981 0.751508906302 0.502660320744} C6 43 1
8 {} {0.572206359468 0.749300528287 0.373968471576} O7 44 1
8 {} {0.654811706351 0.783826168016 0.315596047392} O8 45 1
14 {} {0.584026888384 0.458635501732 0.246236949956} Si8 46 1
7 {} {0.596458166783 0.380509260183 0.289195050319} N4 47 1
14 {} {0.552994838644 0.324313324566 0.312859010809} Si9 48 1
14 {} {0.651153345409 0.355236221619 0.314527284073} Si10 49 1
7 {} {0.692125768638 0.401395864309 0.263442880864} N5 50 1
7 {} {0.528975563421 0.281127691146 0.225835519162} N6 51 1
1 {} {0.666077964939 0.627613433799 0.367685529169} H22 52 1
1 {} {0.631910130249 0.646791720986 0.275342060687} H23 53 1
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1 {} {0.574500163136 0.516064093587 0.52160979797} H26 56 1
1 {} {0.601501281058 0.592146378221 0.550842815225} H27 57 1
1 {} {0.639961338375 0.804293189373 0.520829241257} H28 58 1
1 {} {0.680817118051 0.740098286377 0.512020742132} H29 59 1
1 {} {0.626222024271 0.720947745522 0.5503929622} H30 60 1
1 {} {0.561800939341 0.795174347951 0.371049502103} H31 61 1
1 {} {0.672739640682 0.819508300682 0.340645196937} H32 62 1
1 {} {0.536331593026 0.456641771481 0.217563957322} H33 63 1
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1 {} {0.65488322247 0.283775687935 0.286465539142} H38 68 1
1 {} {0.70538076549 0.442208873627 0.293717012607} H39 69 1
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1 {} {0.506755800843 0.304335980969 0.184922547696} H41 71 1
1 {} {0.546403909723 0.245604354073 0.191903245534} H42 72 1
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