./iterations/neb0_image07_iter294.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.481862713589 0.202928730529 0.50226393773} O1 1 1
14 {} {0.339917014646 0.211145690951 0.585599073298} Si1 2 1
14 {} {0.609947342969 0.294241179841 0.456336137178} Si2 3 1
8 {} {0.565891332963 0.450251705648 0.437819839013} O2 4 1
8 {} {0.31986740675 0.360760284527 0.648722260448} O3 5 1
14 {} {0.288951965688 0.52139475289 0.648645037677} Si3 6 1
14 {} {0.496302562915 0.597288161403 0.434289766261} Si4 7 1
1 {} {0.341100863644 0.114270383104 0.698816144694} H1 8 1
1 {} {0.231352454577 0.180430184465 0.488897788872} H2 9 1
1 {} {0.659284232731 0.245255512731 0.324791161579} H3 10 1
1 {} {0.714583657546 0.286005790748 0.562454240005} H4 11 1
1 {} {0.142132942196 0.542676291294 0.65323388741} H5 12 1
1 {} {0.354369884 0.581365594982 0.767552848571} H6 13 1
1 {} {0.342866500283 0.900590491195 0.479303486991} H7 14 1
1 {} {0.469321335283 0.636550795367 0.294104726817} H8 15 1
1 {} {0.591945748464 0.69135450912 0.499486881357} H10 16 1
8 {} {0.351945904064 0.590979618135 0.513387004586} O 17 1
1 {} {0.308441877821 0.86502827543 0.535353518178} 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
1 0 0 0
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14 6 0 0
16 5 0 2
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4 1 0 0
3 2 0 0
7 1 0 0
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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 0 1 {0 0 0} 0
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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
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7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
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
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end