./neb0_image03.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_image03
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
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@data
6 {} {0.361881818601 0.556199345705 0.413148930579} C1 1 1
14 {} {0.338536357467 0.52995408918 0.523854521251} Si1 2 1
14 {} {0.423570418796 0.566272487087 0.40898361647} Si2 3 1
8 {} {0.351872306736 0.586606254795 0.599833765372} O1 4 1
8 {} {0.283574817233 0.528949456657 0.516490291255} O2 5 1
6 {} {0.357224046427 0.444580839145 0.558629466485} C2 6 1
6 {} {0.454222900579 0.485568901812 0.394791417608} C3 7 1
8 {} {0.436662938181 0.600979029408 0.508007313364} O3 8 1
8 {} {0.436919129267 0.617342996111 0.325798693481} O4 9 1
14 {} {0.233208953989 0.533124465201 0.558017982514} Si3 10 1
7 {} {0.213812650752 0.454814816849 0.592099859836} N1 11 1
14 {} {0.191469254957 0.446473451255 0.69965109154} Si4 12 1
14 {} {0.214205588582 0.387092598993 0.517035223194} Si5 13 1
7 {} {0.208149004337 0.408146774811 0.4065825624} N2 14 1
7 {} {0.141037910317 0.485499187636 0.719905248134} N3 15 1
1 {} {0.351886144225 0.520382074291 0.360941183302} H1 16 1
1 {} {0.346426679866 0.604585478506 0.395902973554} H2 17 1
1 {} {0.381878502338 0.60457667126 0.590434606824} H3 18 1
1 {} {0.348640797645 0.406030573374 0.509148575708} H4 19 1
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1 {} {0.490336159597 0.494790583678 0.39201540267} H7 22 1
1 {} {0.44465227911 0.461324334799 0.331758459447} H8 23 1
1 {} {0.447700076579 0.450261180765 0.449413693178} H9 24 1
1 {} {0.467622936308 0.614570771322 0.514046460405} H10 25 1
1 {} {0.46890103766 0.617720008114 0.313842973575} H11 26 1
1 {} {0.231553669794 0.577241510266 0.638312047884} H12 27 1
1 {} {0.204168896984 0.561117401729 0.486598308527} H13 28 1
1 {} {0.184763711587 0.373397703486 0.713886535932} H14 29 1
1 {} {0.223060996295 0.475618774253 0.765584811144} H15 30 1
1 {} {0.257382403166 0.35027927865 0.52298119034} H16 31 1
1 {} {0.176488731285 0.342770259229 0.543806573293} H17 32 1
1 {} {0.235184478929 0.42289416607 0.370700028921} H18 33 1
1 {} {0.180209810025 0.431757826069 0.384561941814} H19 34 1
1 {} {0.140206310172 0.535122173249 0.734794981797} H20 35 1
1 {} {0.112939484348 0.471509415838 0.686774072264} H21 36 1
6 {} {0.629275560271 0.636382761949 0.349606050034} C4 37 1
14 {} {0.585959207927 0.574270169743 0.387175495805} Si6 38 1
14 {} {0.623482938494 0.724868735806 0.386187300314} Si7 39 1
8 {} {0.536296086353 0.611820218601 0.381810825337} O5 40 1
8 {} {0.585872285717 0.509773710456 0.32004652473} O6 41 1
6 {} {0.596428551492 0.542163835885 0.50216813436} C5 42 1
6 {} {0.641413414936 0.741702041689 0.503516197166} C6 43 1
8 {} {0.56859208588 0.739719731483 0.374980548324} O7 44 1
8 {} {0.651034304824 0.774377635128 0.31622534931} O8 45 1
14 {} {0.579941261264 0.448999405158 0.247436647464} Si8 46 1
7 {} {0.592583112719 0.371048402656 0.290518201602} N4 47 1
14 {} {0.549062673933 0.314426809213 0.313482394688} Si9 48 1
14 {} {0.647231461323 0.345755406783 0.315460297681} Si10 49 1
7 {} {0.688155338808 0.391994467484 0.264130504949} N5 50 1
7 {} {0.525288248564 0.271407358756 0.226265891381} N6 51 1
1 {} {0.662773908394 0.618180342289 0.367923786747} H22 52 1
1 {} {0.628224911437 0.637122195655 0.275950427727} H23 53 1
1 {} {0.539551738252 0.660903669472 0.377498367828} H24 54 1
1 {} {0.628423868255 0.515317614943 0.50567225752} H25 55 1
1 {} {0.570074014557 0.50688796154 0.522069018864} H26 56 1
1 {} {0.597212420482 0.582748880983 0.551688151686} H27 57 1
1 {} {0.636113196589 0.794440065682 0.521810387848} H28 58 1
1 {} {0.676958389387 0.73019432933 0.513240231001} H29 59 1
1 {} {0.622258897141 0.711081013836 0.550927463877} H30 60 1
1 {} {0.557772554193 0.785348074429 0.37189427094} H31 61 1
1 {} {0.668915328523 0.8101383851 0.341122374299} H32 62 1
1 {} {0.532346697842 0.446652387438 0.218305965153} H33 63 1
1 {} {0.609259163748 0.465148868454 0.17010822922} H34 64 1
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1 {} {0.656602235096 0.351796816279 0.412972413642} H37 67 1
1 {} {0.651084914738 0.274324707298 0.287314632495} H38 68 1
1 {} {0.701770311335 0.43251495533 0.294452422445} H39 69 1
1 {} {0.691116375905 0.394885039935 0.196742483508} H40 70 1
1 {} {0.502760570824 0.294271608308 0.185800743513} H41 71 1
1 {} {0.54261445676 0.235848098405 0.192410528185} H42 72 1
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