./iterations/neb0_image08_iter9.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_image08
@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 {} {0.362332907939 0.525734440403 0.423580732678} C1 1 1
14 {} {0.343245445113 0.492732580373 0.534575362092} Si1 2 1
14 {} {0.416547006495 0.569831113092 0.418825622216} Si2 3 1
8 {} {0.346562351645 0.552937364766 0.6098170001} O1 4 1
8 {} {0.290327648248 0.470633027523 0.526651397648} O2 5 1
6 {} {0.374930906031 0.416760950658 0.569978125941} C2 6 1
6 {} {0.464635408018 0.51469041712 0.411943015926} C3 7 1
8 {} {0.419153738642 0.612256705852 0.51470606044} O3 8 1
8 {} {0.417584144451 0.61941602202 0.330847813369} O4 9 1
14 {} {0.238032109797 0.476292426715 0.557247641051} Si3 10 1
7 {} {0.218406722579 0.397613268398 0.588698581412} N1 11 1
14 {} {0.182350685726 0.39332687328 0.68054038065} Si4 12 1
14 {} {0.233996201408 0.327594236407 0.524673010051} Si5 13 1
7 {} {0.235218381512 0.339920070884 0.411075764575} N2 14 1
7 {} {0.134823418746 0.441597357474 0.673392437783} N3 15 1
1 {} {0.361877386226 0.485304761186 0.37348132896} H1 16 1
1 {} {0.337397868273 0.562833105163 0.401541497524} H2 17 1
1 {} {0.370319402011 0.585146101597 0.596772085032} H3 18 1
1 {} {0.371594191029 0.375746558568 0.521498646741} H4 19 1
1 {} {0.362265408315 0.398685276854 0.634478364779} H5 20 1
1 {} {0.410650296165 0.427722396453 0.578292025793} H6 21 1
1 {} {0.497930715287 0.537986590714 0.412632587386} H7 22 1
1 {} {0.464247212358 0.481747516616 0.352968215033} H8 23 1
1 {} {0.465079400141 0.481468691071 0.469649633338} H9 24 1
1 {} {0.444390849276 0.641594357455 0.524639915847} H10 25 1
1 {} {0.446195294324 0.627627701583 0.302956565629} H11 26 1
1 {} {0.232267963001 0.521999791575 0.635234927167} H12 27 1
1 {} {0.212533774025 0.502910422024 0.479522409527} H13 28 1
1 {} {0.169485063426 0.321592383757 0.688683878982} H14 29 1
1 {} {0.205404189044 0.417641369849 0.762434646574} H15 30 1
1 {} {0.279916847939 0.305930601462 0.549631038698} H16 31 1
1 {} {0.200863056499 0.274212560196 0.545032513086} H17 32 1
1 {} {0.261639280944 0.363992504483 0.383197926934} H18 33 1
1 {} {0.206740777736 0.350659508802 0.377146510992} H19 34 1
1 {} {0.134660767301 0.489193683692 0.69711766101} H20 35 1
1 {} {0.112178442751 0.43566750169 0.62358907963} H21 36 1
6 {} {0.579633374777 0.356979622445 0.308344559394} C4 37 1
14 {} {0.575430192766 0.389601355991 0.425775429968} Si6 38 1
14 {} {0.563698885567 0.26786835752 0.290458015864} Si7 39 1
8 {} {0.604066461454 0.341238212277 0.493475001816} O5 40 1
8 {} {0.597269746544 0.465433875558 0.43020242703} O6 41 1
6 {} {0.517967954491 0.394886517715 0.463851743296} C5 42 1
6 {} {0.502786368771 0.257261616434 0.266794200918} C6 43 1
8 {} {0.57898403416 0.229195098839 0.384681639882} O7 44 1
8 {} {0.593381770875 0.230939830581 0.210523488933} O8 45 1
14 {} {0.641268332552 0.510251226761 0.459048546183} Si8 46 1
7 {} {0.625620499315 0.591359638127 0.485832363612} N4 47 1
14 {} {0.632361226941 0.619227855725 0.596539905471} Si9 48 1
14 {} {0.601819454594 0.645118828857 0.407397932053} Si10 49 1
7 {} {0.612870462167 0.625947255628 0.297310978904} N5 50 1
7 {} {0.68506901521 0.638910454603 0.632719720367} N6 51 1
1 {} {0.560212418815 0.388722553107 0.262286192719} H22 52 1
1 {} {0.614962913988 0.362108732491 0.288726558773} H23 53 1
1 {} {0.601964643579 0.294252602061 0.475915367247} H24 54 1
1 {} {0.500021588992 0.425557474363 0.417248368375} H25 55 1
1 {} {0.514715858319 0.419919504549 0.528359336591} H26 56 1
1 {} {0.498974778611 0.348559026978 0.464832886342} H27 57 1
1 {} {0.493451948263 0.204158077138 0.262165516392} H28 58 1
1 {} {0.49352991648 0.281399606703 0.203406039734} H29 59 1
1 {} {0.482373741164 0.280121555315 0.319580885751} H30 60 1
1 {} {0.581655631555 0.180866359134 0.382450015606} H31 61 1
1 {} {0.580192806253 0.226849119478 0.151812555414} H32 62 1
1 {} {0.66325270111 0.48159567382 0.539699649669} H33 63 1
1 {} {0.67294433647 0.509997453291 0.382346378641} H34 64 1
1 {} {0.604659000596 0.681202414142 0.603043056581} H35 65 1
1 {} {0.615820627752 0.566111765326 0.658121464533} H36 66 1
1 {} {0.552029069546 0.644220776225 0.414619880772} H37 67 1
1 {} {0.618768070481 0.713971741638 0.425086404703} H38 68 1
1 {} {0.596536612547 0.587257495571 0.267229512248} H39 69 1
1 {} {0.6445977018 0.62939041718 0.273037122813} H40 70 1
1 {} {0.706281351076 0.601797492714 0.650509416241} H41 71 1
1 {} {0.701873208944 0.677846484276 0.605599324914} H42 72 1
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