./iterations/neb0_image06_iter13.sci output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
#MD System 2.0
@Title neb0_image06
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
@end
@data
6 {} {0.215497082911 0.526800926605 0.326678288928} C1 1 1
14 {} {0.269439716277 0.489827941506 0.284903804463} Si1 2 1
14 {} {0.168802417783 0.535265169081 0.245688621399} Si2 3 1
8 {} {0.282028185265 0.522911435504 0.187080441478} O1 4 1
8 {} {0.30942335508 0.510147910736 0.355810356791} O2 5 1
6 {} {0.267477877268 0.396639495342 0.277868020078} C2 6 1
6 {} {0.137256516394 0.455564652125 0.227947275882} C3 7 1
8 {} {0.193316896912 0.561169290288 0.15146194176} O3 8 1
8 {} {0.133457351342 0.596364984292 0.272638314292} O4 9 1
14 {} {0.360912812802 0.539027691004 0.36094241577} Si3 10 1
7 {} {0.395522013946 0.476057672768 0.402678691177} N1 11 1
14 {} {0.449573341807 0.474158964161 0.361007303669} Si4 12 1
14 {} {0.375214892458 0.421940448574 0.485525211045} Si5 13 1
7 {} {0.346110817888 0.459707339176 0.570814255381} N2 14 1
7 {} {0.470569052058 0.554498387974 0.365665005815} N3 15 1
1 {} {0.20389224832 0.498191430282 0.385165792575} H1 16 1
1 {} {0.22334291444 0.577629104916 0.350866546616} H2 17 1
1 {} {0.256499757181 0.543025233434 0.156332938376} H3 18 1
1 {} {0.262316768317 0.373654300354 0.343704363212} H4 19 1
1 {} {0.299192648729 0.377604640373 0.251102326053} H5 20 1
1 {} {0.240697660256 0.379534872459 0.233180176568} H6 21 1
1 {} {0.110740660365 0.461768783703 0.177896216124} H7 22 1
1 {} {0.121728670276 0.43782981967 0.290146675906} H8 23 1
1 {} {0.159672491907 0.415772474279 0.204338756522} H9 24 1
1 {} {0.174811539546 0.584217414321 0.108222617825} H10 25 1
1 {} {0.105070067412 0.584059510045 0.29871614744} H11 26 1
1 {} {0.377269940169 0.558995481733 0.271095381015} H12 27 1
1 {} {0.35976763906 0.597846896574 0.421992157893} H13 28 1
1 {} {0.474091904286 0.422429589213 0.41416534864} H14 29 1
1 {} {0.452196923907 0.457009130022 0.264667600685} H15 30 1
1 {} {0.343789579011 0.372763990684 0.445107399635} H16 31 1
1 {} {0.414724577247 0.387668232705 0.524615698789} H17 32 1
1 {} {0.314513346375 0.476197266204 0.559820931946} H18 33 1
1 {} {0.362125040537 0.490101236911 0.6147595295} H19 34 1
1 {} {0.494657726754 0.569057912304 0.321993044626} H20 35 1
1 {} {0.476379146974 0.576545926249 0.425621860411} H21 36 1
6 {} {0.644800283369 0.639068972944 0.485943604132} C4 37 1
14 {} {0.605553465054 0.57530449677 0.438353361017} Si6 38 1
14 {} {0.642342732077 0.725647940023 0.441102415399} Si7 39 1
8 {} {0.602754369098 0.583508390317 0.328575484595} O5 40 1
8 {} {0.624945495405 0.500427867124 0.462323359716} O6 41 1
6 {} {0.549090263603 0.581774830201 0.48867463665} C5 42 1
6 {} {0.594756705684 0.776125133714 0.485834822743} C6 43 1
8 {} {0.638079879708 0.714870288103 0.33061597443} O7 44 1
8 {} {0.68992005247 0.767037736287 0.456812521277} O8 45 1
14 {} {0.635504886737 0.422537592234 0.43446113791} Si8 46 1
7 {} {0.590203485918 0.370370480816 0.452621327007} N4 47 1
14 {} {0.570694936143 0.321059716291 0.364076809328} Si9 48 1
14 {} {0.565410376518 0.367078677765 0.558873942619} Si10 49 1
7 {} {0.600747681598 0.385817492639 0.645824767951} N5 50 1
7 {} {0.605643954923 0.25842470067 0.326690366567} N6 51 1
1 {} {0.640557660216 0.640548896691 0.558996099836} H22 52 1
1 {} {0.678821193437 0.620288786016 0.473529303055} H23 53 1
1 {} {0.615212016735 0.625786551564 0.306636041859} H24 54 1
1 {} {0.548596917536 0.571568360183 0.560530603616} H25 55 1
1 {} {0.52793642532 0.543945968546 0.456990139237} H26 56 1
1 {} {0.533966720003 0.631080788935 0.476603282565} H27 57 1
1 {} {0.593992058887 0.82656023444 0.456445400407} H28 58 1
1 {} {0.596808093533 0.781645295174 0.558784558519} H29 59 1
1 {} {0.562681799963 0.751980721209 0.470658406138} H30 60 1
1 {} {0.646063175794 0.752302855936 0.292685929135} H31 61 1
1 {} {0.69029790168 0.802082879767 0.501416145031} H32 62 1
1 {} {0.647052887998 0.417529014584 0.337690075728} H33 63 1
1 {} {0.674699853921 0.402236860445 0.489258027261} H34 64 1
1 {} {0.528879586172 0.289196913793 0.396956186602} H35 65 1
1 {} {0.562466186302 0.364029262339 0.284557309098} H36 66 1
1 {} {0.528310618703 0.416500401731 0.565499749059} H37 67 1
1 {} {0.548305490336 0.297610541353 0.57086380887} H38 68 1
1 {} {0.607288875984 0.434412110566 0.661032859775} H39 69 1
1 {} {0.627763081617 0.356713040031 0.659191746624} H40 70 1
1 {} {0.630261085789 0.269548269036 0.282509856213} H41 71 1
1 {} {0.615184085453 0.220695334546 0.367966596005} H42 72 1
@end
@Columns Cell
Constraints string {a b c A B G}
Origin int {{0 0 0}}
Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}}
PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
SpaceGroup string P1
SpaceGroupNumber int 1
ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
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@data
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Atom2 reference AsymmetricAtom
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@Columns Bond
AsymmetricBond reference AsymmetricBond
Atom1 reference Atom
Atom2 reference Atom
CellOffset2 int {{0 0 0}}
Key int 0
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Color string {{#65d9f0}}
Criteria string {{}}
DisplayLine int 0
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Table string {{}}
Type string atom
UseColor int 0
@end
@data
@end