./iterations/neb0_image02_iter21.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_image02
@Columns AsymmetricAtom
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Connections string {{}}
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6 {} {0.360015547147 0.551421737441 0.413700832188} C1 1 1
14 {} {0.336680788665 0.5248055089 0.524294431413} Si1 2 1
14 {} {0.421695683828 0.562244388737 0.409307947344} Si2 3 1
8 {} {0.349870498603 0.5816016007 0.600342319134} O1 4 1
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8 {} {0.4346988076 0.613654738045 0.32626477945} O4 9 1
14 {} {0.231306666668 0.527656100077 0.558584191667} Si3 10 1
7 {} {0.211666490936 0.44949962714 0.592813568924} N1 11 1
14 {} {0.189226484101 0.441176010017 0.700316711703} Si4 12 1
14 {} {0.21216986582 0.381806363348 0.517708011682} Si5 13 1
7 {} {0.206127258749 0.403146186924 0.407326576296} N2 14 1
7 {} {0.138773137778 0.480224168135 0.720433334646} N3 15 1
1 {} {0.350030934403 0.515699968203 0.361364710138} H1 16 1
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1 {} {0.443299408871 0.4576798239 0.331686800883} H8 23 1
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1 {} {0.174589424726 0.337221009289 0.544317215374} H17 32 1
1 {} {0.233122726171 0.417703045461 0.371249320744} H18 33 1
1 {} {0.178101470456 0.42647111401 0.385078199276} H19 34 1
1 {} {0.137993896171 0.529829743002 0.735386513089} H20 35 1
1 {} {0.11073409002 0.466465390854 0.686869418666} H21 36 1
6 {} {0.63078552138 0.641190057443 0.349336554852} C4 37 1
14 {} {0.58768809882 0.578689879433 0.386717833338} Si6 38 1
14 {} {0.62514302526 0.729657121277 0.385818027047} Si7 39 1
8 {} {0.537450905897 0.61452014179 0.381191594058} O5 40 1
8 {} {0.588385170917 0.514190870453 0.319542337934} O6 41 1
6 {} {0.598715524278 0.546750286062 0.50161752051} C5 42 1
6 {} {0.643336442976 0.746718447193 0.502995742926} C6 43 1
8 {} {0.570289482149 0.744475573352 0.374317631402} O7 44 1
8 {} {0.652943541031 0.779021435276 0.315991628079} O8 45 1
14 {} {0.58210212257 0.453780575776 0.246646451792} Si8 46 1
7 {} {0.594642771827 0.375814899231 0.289635658045} N4 47 1
14 {} {0.550949576148 0.319385140284 0.313007751585} Si9 48 1
14 {} {0.649118442825 0.350459133923 0.314951836626} Si10 49 1
7 {} {0.690215843874 0.396646896009 0.263796845984} N5 50 1
7 {} {0.527056033626 0.276295712575 0.226270325486} N6 51 1
1 {} {0.664183969725 0.622845664891 0.368096420731} H22 52 1
1 {} {0.630038398322 0.641987172398 0.275683561482} H23 53 1
1 {} {0.539844373468 0.663576695214 0.37647815818} H24 54 1
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1 {} {0.572610739436 0.511231494447 0.521994169561} H26 56 1
1 {} {0.599635121465 0.587305507799 0.551196678041} H27 57 1
1 {} {0.63807313085 0.799495610173 0.521200808087} H28 58 1
1 {} {0.678926438598 0.735321963437 0.51237882723} H29 59 1
1 {} {0.624347062378 0.71618624647 0.550766048869} H30 60 1
1 {} {0.559869021237 0.790359816903 0.371442446928} H31 61 1
1 {} {0.67083312377 0.814736890391 0.341070680043} H32 62 1
1 {} {0.534421563726 0.451864080516 0.21790923221} H33 63 1
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1 {} {0.504907676259 0.299517776534 0.185374681886} H41 71 1
1 {} {0.544477265607 0.24091079916 0.192366973153} H42 72 1
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