./iterations/neb0_image03_iter17.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.469416062834 0.23188255311 0.478669455918} O1 1 1
14 {} {0.330542116947 0.241879635456 0.568347257885} Si1 2 1
14 {} {0.599942641642 0.324794084309 0.43459200473} Si2 3 1
8 {} {0.549175000829 0.474964378909 0.379193235194} O2 4 1
8 {} {0.33196183727 0.373849936402 0.661389168489} O3 5 1
14 {} {0.274032158107 0.521015383368 0.710694380333} Si3 6 1
14 {} {0.512444971475 0.641634654074 0.388716683635} Si4 7 1
1 {} {0.325463614562 0.117861106451 0.654374365316} H1 8 1
1 {} {0.213926905944 0.244329506112 0.472397757755} H2 9 1
1 {} {0.669330399052 0.242564069519 0.32831832364} H3 10 1
1 {} {0.691198319429 0.336030208354 0.55463344693} H4 11 1
1 {} {0.126466751222 0.503898322296 0.721193809377} H5 12 1
1 {} {0.342815919721 0.546738542871 0.840289638341} H6 13 1
1 {} {0.384163261186 0.723882735669 0.368533963019} H7 14 1
1 {} {0.58595314474 0.697177336568 0.273653403059} H8 15 1
1 {} {0.574393060352 0.680774887705 0.520295213902} H10 16 1
8 {} {0.308504529094 0.63967113478 0.591341254383} O 17 1
1 {} {0.320355439327 0.729569494568 0.584424628104} 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
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
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
6 3 2 {0 0 0} 0
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
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end