iterations/neb0_image08_iter127.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.47080291508 0.220996932708 0.489988296906} O1 1 1
14 {} {0.331682643104 0.220577108894 0.57692062303} Si1 2 1
14 {} {0.60534990638 0.305185180887 0.445834859919} Si2 3 1
8 {} {0.568250562396 0.459369988709 0.4027317481} O2 4 1
8 {} {0.32516046025 0.350287743697 0.678872435124} O3 5 1
14 {} {0.299980252403 0.512978611262 0.675938908078} Si3 6 1
14 {} {0.508356560726 0.603980029916 0.453384866237} Si4 7 1
1 {} {0.328599783908 0.0980458590799 0.660528833997} H1 8 1
1 {} {0.216236543656 0.226434423929 0.482676060936} H2 9 1
1 {} {0.66240214448 0.237364048605 0.326534973287} H3 10 1
1 {} {0.701377668555 0.311546061381 0.560243399455} H4 11 1
1 {} {0.154408440856 0.540902324104 0.66464649529} H5 12 1
1 {} {0.357635059505 0.56892841278 0.801053861607} H6 13 1
1 {} {0.33204405337 0.862343585576 0.427842245597} H7 14 1
1 {} {0.472662554802 0.678927354591 0.330450792635} H8 15 1
1 {} {0.609063366726 0.6774684334 0.535816606865} H10 16 1
8 {} {0.372770360615 0.58057331795 0.544073358183} O 17 1
1 {} {0.293302902623 0.816608556957 0.473519559858} H14 18 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
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end