iterations/neb0_image02_iter2.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_image02
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
Name string {{}}
Site int 1
WyckoffPosition int -1
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@data
6 {} {0.351106574934 0.555084974636 0.421889339892} C1 1 1
14 {} {0.332067878022 0.522081487852 0.532946049524} Si1 2 1
14 {} {0.406346837162 0.597201577438 0.417704965817} Si2 3 1
8 {} {0.33530929455 0.582354086895 0.608211204158} O1 4 1
8 {} {0.27914984789 0.500093535666 0.525009812124} O2 5 1
6 {} {0.363703860646 0.446116298362 0.568340022557} C2 6 1
6 {} {0.455419113728 0.539601554554 0.411428577865} C3 7 1
8 {} {0.407945695571 0.641623559915 0.512800096538} O3 8 1
8 {} {0.406668471375 0.648090295247 0.32991763889} O4 9 1
14 {} {0.226818473281 0.505706280298 0.555619107641} Si3 10 1
7 {} {0.207169099171 0.426987007462 0.587051409363} N1 11 1
14 {} {0.171132522757 0.422632425855 0.678895388427} Si4 12 1
14 {} {0.222773869104 0.356975628352 0.52311487411} Si5 13 1
7 {} {0.223992253066 0.36934053853 0.409499363058} N2 14 1
7 {} {0.123626136272 0.47096638876 0.671715184835} N3 15 1
1 {} {0.350657972798 0.514651921258 0.371856003473} H1 16 1
1 {} {0.326173939901 0.592256858848 0.399890787679} H2 17 1
1 {} {0.359096036334 0.614486889119 0.59515497185} H3 18 1
1 {} {0.360382948644 0.405118544076 0.519841856375} H4 19 1
1 {} {0.351029104212 0.428059734802 0.632843754914} H5 20 1
1 {} {0.399415872471 0.457093849305 0.576633311262} H6 21 1
1 {} {0.487199085184 0.567250295747 0.410654016587} H7 22 1
1 {} {0.453992671086 0.509011474393 0.350457072728} H8 23 1
1 {} {0.456383251438 0.505439873267 0.468859796269} H9 24 1
1 {} {0.433203014101 0.670928122089 0.52308740109} H10 25 1
1 {} {0.435010509269 0.656899564912 0.301146536053} H11 26 1
1 {} {0.221030367655 0.551351835054 0.633633096839} H12 27 1
1 {} {0.201294037255 0.532250600247 0.477921722771} H13 28 1
1 {} {0.158240994454 0.350935776746 0.687029093195} H14 29 1
1 {} {0.194168362637 0.446970391318 0.760796916267} H15 30 1
1 {} {0.268699426659 0.335286166256 0.548025257584} H16 31 1
1 {} {0.189639552279 0.30355710374 0.54339036297} H17 32 1
1 {} {0.250425279995 0.393342831751 0.381559913851} H18 33 1
1 {} {0.195517058408 0.380006829755 0.375492753125} H19 34 1
1 {} {0.123428186368 0.518552566126 0.695496410832} H20 35 1
1 {} {0.100952589093 0.46503163027 0.621950969974} H21 36 1
6 {} {0.590855300972 0.327574241028 0.309976083928} C4 37 1
14 {} {0.586078561066 0.361141099454 0.426956918001} Si6 38 1
14 {} {0.574904270362 0.238487728616 0.292065562138} Si7 39 1
8 {} {0.614704938654 0.312070185032 0.494983066857} O5 40 1
8 {} {0.608727067024 0.436180001661 0.431982092938} O6 41 1
6 {} {0.526822979278 0.369843037288 0.463590719303} C5 42 1
6 {} {0.514002217072 0.227883213176 0.268426688495} C6 43 1
8 {} {0.590185981931 0.199856136595 0.386338545589} O7 44 1
8 {} {0.604622384546 0.20149201971 0.212178343605} O8 45 1
14 {} {0.652456362869 0.481026684252 0.46063569517} Si8 46 1
7 {} {0.636960944427 0.562108443435 0.487701927315} N4 47 1
14 {} {0.643215346649 0.589658542037 0.598016096487} Si9 48 1
14 {} {0.61307415374 0.615763517457 0.408240585634} Si10 49 1
7 {} {0.624067465025 0.596718611836 0.298645199472} N5 50 1
7 {} {0.696230940958 0.609469929791 0.634169067321} N6 51 1
1 {} {0.571439721352 0.35934235204 0.264033035546} H22 52 1
1 {} {0.62618267834 0.332719884304 0.290386061199} H23 53 1
1 {} {0.613153974656 0.264930317005 0.477499876573} H24 54 1
1 {} {0.507707357797 0.402818860791 0.419033867743} H25 55 1
1 {} {0.525608311863 0.391322754489 0.531107791959} H26 56 1
1 {} {0.510036024107 0.320934007795 0.465972934995} H27 57 1
1 {} {0.504665363094 0.17478008873 0.263770214472} H28 58 1
1 {} {0.50477164357 0.252066008136 0.205050719872} H29 59 1
1 {} {0.493579667615 0.250812210481 0.321153865172} H30 60 1
1 {} {0.592842740896 0.151509843885 0.384091598761} H31 61 1
1 {} {0.591413072251 0.197480093342 0.153457511323} H32 62 1
1 {} {0.674462289628 0.452213144316 0.5412775221} H33 63 1
1 {} {0.684188922623 0.480598919265 0.383989070154} H34 64 1
1 {} {0.615937074728 0.651915467447 0.604815857569} H35 65 1
1 {} {0.627082483088 0.536742711369 0.660042877044} H36 66 1
1 {} {0.563340900454 0.614848584211 0.4164059066} H37 67 1
1 {} {0.63000552357 0.684538553396 0.426929016033} H38 68 1
1 {} {0.607810638468 0.557972575092 0.26913049408} H39 69 1
1 {} {0.65574865369 0.600029438615 0.274836478945} H40 70 1
1 {} {0.717598576818 0.572316023296 0.652224177642} H41 71 1
1 {} {0.713177246764 0.648622601227 0.60710579903} H42 72 1
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