./iterations/neb0_image03_iter129.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 {} {0.465228160558 0.243870326963 0.487543112762} O1 1 1
14 {} {0.328185096045 0.235032655255 0.576728431921} Si1 2 1
14 {} {0.58630741135 0.34048075994 0.433235800811} Si2 3 1
8 {} {0.526420843307 0.484590107785 0.383531537942} O2 4 1
8 {} {0.318862761672 0.358315182962 0.684784073491} O3 5 1
14 {} {0.268879134375 0.511009250932 0.717119134611} Si3 6 1
14 {} {0.541590924536 0.648684928465 0.377174169485} Si4 7 1
1 {} {0.331739792161 0.108004432261 0.653668269137} H1 8 1
1 {} {0.209711818932 0.239758822638 0.486722454637} H2 9 1
1 {} {0.648334159015 0.269951957236 0.317887626678} H3 10 1
1 {} {0.68290273197 0.364686788435 0.544416146928} H4 11 1
1 {} {0.119911436503 0.515843679091 0.723443191285} H5 12 1
1 {} {0.329809191527 0.551229116057 0.846969925083} H6 13 1
1 {} {0.410139718521 0.712991735584 0.347800072315} H7 14 1
1 {} {0.636344530056 0.680477988162 0.265876825589} H8 15 1
1 {} {0.597259660779 0.703499165674 0.505125377729} H10 16 1
8 {} {0.323344085265 0.607616898603 0.592578006978} O 17 1
1 {} {0.285114691038 0.696474213649 0.586453749294} 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