iterations/neb0_image07_iter6.sci output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
#MD System 2.0
@Title neb0_image07
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
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@data
6 {} {0.360382339279 0.530878131683 0.423252844755} C1 1 1
14 {} {0.341304826846 0.497884060237 0.534320382032} Si1 2 1
14 {} {0.415332439812 0.573578699744 0.418906792922} Si2 3 1
8 {} {0.344569183422 0.558147262861 0.609549297767} O1 4 1
8 {} {0.288373950748 0.475901113405 0.526366006435} O2 5 1
6 {} {0.372960422864 0.42189996372 0.569701406293} C2 6 1
6 {} {0.464014333597 0.516803537795 0.412478099292} C3 7 1
8 {} {0.417203814855 0.617409747189 0.514218142221} O3 8 1
8 {} {0.415845227161 0.624025152062 0.331055932568} O4 9 1
14 {} {0.236067726053 0.481458964067 0.556971468491} Si3 10 1
7 {} {0.216426844881 0.402764970904 0.588395058601} N1 11 1
14 {} {0.180392597847 0.398457783702 0.680224285455} Si4 12 1
14 {} {0.232023451745 0.332767888739 0.524410784869} Si5 13 1
7 {} {0.233241259988 0.345152126186 0.41083226349} N2 14 1
7 {} {0.132874045678 0.446771926177 0.673072759651} N3 15 1
1 {} {0.359909307384 0.490441514972 0.373198908976} H1 16 1
1 {} {0.335434081812 0.568022731072 0.401244351825} H2 17 1
1 {} {0.368356279974 0.590294006676 0.59649366059} H3 18 1
1 {} {0.369632016923 0.38090323582 0.521197204033} H4 19 1
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1 {} {0.408676989341 0.432877480799 0.577987250379} H6 21 1
1 {} {0.496323909081 0.543051664455 0.412123989597} H7 22 1
1 {} {0.462973181562 0.485392191332 0.352103109975} H8 23 1
1 {} {0.464938538968 0.48280450274 0.4698899903} H9 24 1
1 {} {0.442442840509 0.646731031206 0.524403819916} H10 25 1
1 {} {0.444249271314 0.632730915453 0.302557756445} H11 26 1
1 {} {0.23029036812 0.52714701187 0.634963731359} H12 27 1
1 {} {0.210555478996 0.5080515909 0.479255502432} H13 28 1
1 {} {0.16750289842 0.326734580038 0.688386737804} H14 29 1
1 {} {0.203427157433 0.422776471195 0.762144431795} H15 30 1
1 {} {0.277946721299 0.311078445809 0.549355267769} H16 31 1
1 {} {0.19889551544 0.279356148806 0.544742717734} H17 32 1
1 {} {0.259680368312 0.369141059299 0.382903273553} H18 33 1
1 {} {0.204769364966 0.355807745746 0.376847542693} H19 34 1
1 {} {0.13269027481 0.494369328676 0.696845276037} H20 35 1
1 {} {0.110210316823 0.440821237523 0.623304786356} H21 36 1
6 {} {0.581607688653 0.351800914817 0.30865285936} C4 37 1
14 {} {0.576926467337 0.385091179686 0.425780419032} Si6 38 1
14 {} {0.56565390766 0.262712472787 0.290698446291} Si7 39 1
8 {} {0.60561975403 0.336234711808 0.493662811935} O5 40 1
8 {} {0.599403502382 0.460350139012 0.430562998047} O6 41 1
6 {} {0.518266803375 0.392758984995 0.462730857949} C5 42 1
6 {} {0.504755283201 0.252094932027 0.26708352768} C6 43 1
8 {} {0.5808955384 0.224057060657 0.384979282258} O7 44 1
8 {} {0.595349214054 0.225697770268 0.210825764406} O8 45 1
14 {} {0.643231675861 0.505184249985 0.459286954871} Si8 46 1
7 {} {0.627631438335 0.586258124673 0.48619182691} N4 47 1
14 {} {0.63417508626 0.613984584307 0.596792915121} Si9 48 1
14 {} {0.60379995396 0.639957869005 0.407370118595} Si10 49 1
7 {} {0.614822009137 0.620870827969 0.297465287986} N5 50 1
7 {} {0.687024493335 0.633706882234 0.632908940344} N6 51 1
1 {} {0.562189687774 0.383549396882 0.262651768626} H22 52 1
1 {} {0.616934313491 0.356929783671 0.289033582979} H23 53 1
1 {} {0.603909992272 0.28913982762 0.476166571576} H24 54 1
1 {} {0.499485513587 0.425070102695 0.41774951666} H25 55 1
1 {} {0.516439055211 0.415306812512 0.529360632737} H26 56 1
1 {} {0.500848160756 0.344664914297 0.464754699994} H27 57 1
1 {} {0.495424318659 0.198989238951 0.262439981007} H28 58 1
1 {} {0.495512335177 0.276254167774 0.203706710525} H29 59 1
1 {} {0.484333822842 0.274990121272 0.319834991101} H30 60 1
1 {} {0.583607282724 0.175728161295 0.382741670178} H31 61 1
1 {} {0.582161607599 0.221684759402 0.152098635296} H32 62 1
1 {} {0.665215004402 0.476432937992 0.539940457512} H33 63 1
1 {} {0.674926702278 0.504820234195 0.382630145094} H34 64 1
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1 {} {0.617803610445 0.560938662828 0.658551597775} H36 66 1
1 {} {0.554045935271 0.639066537533 0.414977229561} H37 67 1
1 {} {0.620745680993 0.708771421217 0.425464154662} H38 68 1
1 {} {0.598523948572 0.582122982119 0.267635124621} H39 69 1
1 {} {0.64655311724 0.624229145796 0.273386023735} H40 70 1
1 {} {0.708286320564 0.596597577104 0.650826294007} H41 71 1
1 {} {0.703866185498 0.672724360111 0.60584429333} H42 72 1
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