./iterations/neb0_image06_iter7.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_image06
@Columns AsymmetricAtom
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Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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6 {} {0.36759936005 0.570696735825 0.41208291828} C1 1 1
14 {} {0.344376272161 0.544035446478 0.522784010445} Si1 2 1
14 {} {0.429549633684 0.580937346874 0.407615839512} Si2 3 1
8 {} {0.357424180892 0.600782372923 0.598751873365} O1 4 1
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8 {} {0.441838648583 0.633478165501 0.324512233508} O4 9 1
14 {} {0.238930999296 0.546733722596 0.556983497321} Si3 10 1
7 {} {0.219210347005 0.468648720711 0.591239475176} N1 11 1
14 {} {0.196764443517 0.460397253652 0.698656974736} Si4 12 1
14 {} {0.2197724463 0.401014896026 0.516138410417} Si5 13 1
7 {} {0.213690385895 0.422297686584 0.405768188604} N2 14 1
7 {} {0.146309300051 0.499422522532 0.71879399474} N3 15 1
1 {} {0.357592194888 0.534933783511 0.359791588327} H1 16 1
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1 {} {0.182192668888 0.35631211294 0.542738294615} H17 32 1
1 {} {0.24070442378 0.436843139128 0.369658086179} H18 33 1
1 {} {0.185688702149 0.445570170054 0.383525788086} H19 34 1
1 {} {0.145554861782 0.549031784435 0.733820914837} H20 35 1
1 {} {0.118289089292 0.485680788978 0.685253958526} H21 36 1
6 {} {0.623306899557 0.622021651151 0.350875378779} C4 37 1
14 {} {0.580808787574 0.55944291444 0.388366616556} Si6 38 1
14 {} {0.617643573529 0.710490389729 0.387424133036} Si7 39 1
8 {} {0.531197705183 0.596675323675 0.382924939907} O5 40 1
8 {} {0.580901396246 0.495171745635 0.321234891069} O6 41 1
6 {} {0.591173405236 0.527538299536 0.50322749583} C5 42 1
6 {} {0.635735321115 0.727540692989 0.504594513547} C6 43 1
8 {} {0.562687244933 0.725307118059 0.375877480592} O7 44 1
8 {} {0.645429159377 0.75980647697 0.317604424875} O8 45 1
14 {} {0.574455880608 0.434573074872 0.248197868789} Si8 46 1
7 {} {0.58697625172 0.356552524227 0.291228281439} N4 47 1
14 {} {0.54339660876 0.300317083287 0.314928098783} Si9 48 1
14 {} {0.641616274558 0.331162216161 0.316551403747} Si10 49 1
7 {} {0.682625440887 0.377357251961 0.265444782018} N5 50 1
7 {} {0.519435756102 0.25709150339 0.227854772063} N6 51 1
1 {} {0.656635254002 0.603685188294 0.369663102014} H22 52 1
1 {} {0.622496068563 0.622794166487 0.277248931848} H23 53 1
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1 {} {0.565073926069 0.492017887055 0.523530911357} H26 56 1
1 {} {0.592107353512 0.568059321136 0.5528206664} H27 57 1
1 {} {0.63048115262 0.780314148797 0.522788715683} H28 58 1
1 {} {0.671327153121 0.716143751555 0.513983079055} H29 59 1
1 {} {0.616767928061 0.696991191363 0.552385854905} H30 60 1
1 {} {0.552296939499 0.771187494794 0.372994024383} H31 61 1
1 {} {0.663265831583 0.795550668804 0.342650760997} H32 62 1
1 {} {0.526867564138 0.432708119448 0.219557424406} H33 63 1
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1 {} {0.645353553977 0.259758244602 0.288455298537} H38 68 1
1 {} {0.695861147486 0.418184168521 0.29573202865} H39 69 1
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1 {} {0.497295212032 0.280406936179 0.186902228596} H41 71 1
1 {} {0.536913952015 0.221642556253 0.193937764452} H42 72 1
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