iterations/neb0_image07_iter126.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (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
8 {} {0.46972983112 0.226180176531 0.491102134089} O1 1 1
14 {} {0.330240063516 0.222439948701 0.578070206564} Si1 2 1
14 {} {0.604790934164 0.309460895427 0.447589677175} Si2 3 1
8 {} {0.571987018864 0.465191907693 0.407776971016} O2 4 1
8 {} {0.32199546821 0.35211714991 0.679192492886} O3 5 1
14 {} {0.29715354237 0.515152362959 0.670874141409} Si3 6 1
14 {} {0.503396760276 0.608708303442 0.449099593553} Si4 7 1
1 {} {0.329734200014 0.0994306119554 0.661306015287} H1 8 1
1 {} {0.214581449932 0.224281875222 0.48380783702} H2 9 1
1 {} {0.658171259729 0.24345638608 0.325551053213} H3 10 1
1 {} {0.702373349331 0.312876087928 0.561041689672} H4 11 1
1 {} {0.1512239122 0.542105457768 0.663358841817} H5 12 1
1 {} {0.359506984272 0.575729365584 0.791687030808} H6 13 1
1 {} {0.34829368619 0.83762803452 0.440951222472} H7 14 1
1 {} {0.472252265821 0.677984516267 0.322151410351} H8 15 1
1 {} {0.595278195664 0.691214273653 0.534018944084} H10 16 1
8 {} {0.365139296472 0.577557815996 0.533914679218} O 17 1
1 {} {0.314237875843 0.791002737989 0.489563992907} H14 18 1
@end
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	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}}
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	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
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	Order	int	0
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@data
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14 6 0 0
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7 1 0 0
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5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
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	CellOffset2	int	{{0 0 0}}
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@data
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9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
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	Criteria	string	{{}}
	DisplayLine	int	0
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end