iterations/neb0_image02_iter73.sci output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)

Status: terminated
#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
@end
@data
6 {} {0.205333480449 0.5288663334 0.30971648623} C1 1 1
14 {} {0.259038632107 0.49142148141 0.268028865566} Si1 2 1
14 {} {0.158425255066 0.537162656082 0.22910469366} Si2 3 1
8 {} {0.271686460269 0.523724745803 0.169702077731} O1 4 1
8 {} {0.299137654096 0.512001568888 0.338712232374} O2 5 1
6 {} {0.256997138277 0.3982584344 0.261608495447} C2 6 1
6 {} {0.126765507142 0.457495817515 0.211338247054} C3 7 1
8 {} {0.18258128662 0.562983574907 0.134364185751} O3 8 1
8 {} {0.123136343903 0.598152029453 0.256920531906} O4 9 1
14 {} {0.350620363514 0.541207749909 0.344495264183} Si3 10 1
7 {} {0.385483693798 0.478139142789 0.386121456113} N1 11 1
14 {} {0.439690802983 0.476082099221 0.344191430507} Si4 12 1
14 {} {0.365159217086 0.423732680669 0.469069799157} Si5 13 1
7 {} {0.335764708107 0.461381564623 0.553960317988} N2 14 1
7 {} {0.461813521901 0.555795470385 0.349811711919} N3 15 1
1 {} {0.193667564048 0.500523135014 0.36836679391} H1 16 1
1 {} {0.213159360511 0.57985909718 0.333346174341} H2 17 1
1 {} {0.246303108732 0.544572632931 0.139238549746} H3 18 1
1 {} {0.251680802271 0.37522133537 0.327290101157} H4 19 1
1 {} {0.288674182883 0.379150640942 0.234910706304} H5 20 1
1 {} {0.230249797594 0.381548951209 0.216695836909} H6 21 1
1 {} {0.10034153764 0.46392095957 0.16104939067} H7 22 1
1 {} {0.111052946836 0.439833459912 0.273417828091} H8 23 1
1 {} {0.149111227714 0.417544508835 0.187802364866} H9 24 1
1 {} {0.164022698316 0.586243090838 0.0916873045085} H10 25 1
1 {} {0.094752633731 0.5855686205 0.282544598868} H11 26 1
1 {} {0.367230777104 0.561440494714 0.254627118974} H12 27 1
1 {} {0.349340098962 0.599870298014 0.405805956705} H13 28 1
1 {} {0.463697793019 0.423493743582 0.396786440812} H14 29 1
1 {} {0.441514747823 0.458365733304 0.247538452929} H15 30 1
1 {} {0.333847265409 0.374654189845 0.428136748491} H16 31 1
1 {} {0.404614008093 0.389782628929 0.507851753419} H17 32 1
1 {} {0.304020310207 0.477417479086 0.542426452832} H18 33 1
1 {} {0.351369820989 0.492172868025 0.597740331906} H19 34 1
1 {} {0.484988044592 0.570425300589 0.304475841837} H20 35 1
1 {} {0.466936150411 0.578501828788 0.409942990082} H21 36 1
6 {} {0.655324517322 0.637744568816 0.50272148058} C4 37 1
14 {} {0.61570388575 0.573339079338 0.455773162745} Si6 38 1
14 {} {0.652557509825 0.72415986231 0.457752679032} Si7 39 1
8 {} {0.612394514571 0.581807304841 0.346028033929} O5 40 1
8 {} {0.635701131101 0.498773581516 0.479343654235} O6 41 1
6 {} {0.558732868934 0.579271365984 0.505640136374} C5 42 1
6 {} {0.605037294612 0.77455061879 0.50263225443} C6 43 1
8 {} {0.648239788997 0.713111481834 0.347193705423} O7 44 1
8 {} {0.700031250296 0.765747983369 0.472610014158} O8 45 1
14 {} {0.64608445719 0.420935244574 0.451814416621} Si8 46 1
7 {} {0.600713848664 0.368275130664 0.468685783721} N4 47 1
14 {} {0.581227080164 0.319609956888 0.381081405804} Si9 48 1
14 {} {0.576059387774 0.364873326321 0.575842134254} Si10 49 1
7 {} {0.611656919515 0.384430319601 0.66263485124} N5 50 1
7 {} {0.615340514581 0.256474183381 0.342668394781} N6 51 1
1 {} {0.65141242169 0.638975498636 0.575815267991} H22 52 1
1 {} {0.689374885369 0.619064890055 0.489755740349} H23 53 1
1 {} {0.625166455942 0.623742091272 0.323691715704} H24 54 1
1 {} {0.558814407622 0.570102897837 0.577941895382} H25 55 1
1 {} {0.537009310478 0.541688041563 0.474276520075} H26 56 1
1 {} {0.543996443687 0.628911380586 0.493606580118} H27 57 1
1 {} {0.604260510602 0.824916210758 0.47312095678} H28 58 1
1 {} {0.607171793344 0.780201084223 0.575514036891} H29 59 1
1 {} {0.572941659997 0.750492925203 0.487708354247} H30 60 1
1 {} {0.656525255384 0.750238105865 0.309210876099} H31 61 1
1 {} {0.700565852897 0.800623864629 0.518065785211} H32 62 1
1 {} {0.657644480318 0.415768905264 0.354401452241} H33 63 1
1 {} {0.685322229114 0.400435369961 0.506306756046} H34 64 1
1 {} {0.539149873883 0.288042915299 0.41370965481} H35 65 1
1 {} {0.572944654192 0.362846058772 0.300895282842} H36 66 1
1 {} {0.538576299337 0.413372660455 0.582273713544} H37 67 1
1 {} {0.559316862887 0.294990937853 0.587457406459} H38 68 1
1 {} {0.617331067848 0.431961404533 0.67754682964} H39 69 1
1 {} {0.638011687687 0.35553910842 0.676127644004} H40 70 1
1 {} {0.640319692695 0.267547043417 0.297859914826} H41 71 1
1 {} {0.624808143506 0.218221177022 0.383272233458} 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}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
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@end
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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@end
@Columns Subset
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@data
@end