iterations/neb0_image05_iter139.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471325415521 0.229531298955 0.484658326454} O1 1 1
14 {} {0.331025429856 0.22461983579 0.569194891334} Si1 2 1
14 {} {0.594797213235 0.335097672289 0.452434342917} Si2 3 1
8 {} {0.536886990298 0.486933502633 0.450847839107} O2 4 1
8 {} {0.314619218443 0.36073106784 0.659051490433} O3 5 1
14 {} {0.274934275783 0.51773225637 0.675375671421} Si3 6 1
14 {} {0.521845675933 0.652462177055 0.430714996384} Si4 7 1
1 {} {0.331363790593 0.108483561156 0.661600155426} H1 8 1
1 {} {0.218811527352 0.216096988544 0.472846099921} H2 9 1
1 {} {0.651262260012 0.288643975075 0.321583777213} H3 10 1
1 {} {0.698637264835 0.32587748255 0.557766369015} H4 11 1
1 {} {0.130109488947 0.531435600015 0.710664505786} H5 12 1
1 {} {0.367540733624 0.584313071796 0.772935655734} H6 13 1
1 {} {0.429995107693 0.771477222377 0.469479037512} H7 14 1
1 {} {0.519599958203 0.665571963088 0.28327331315} H8 15 1
1 {} {0.639698331949 0.700220961087 0.511897516823} H10 16 1
8 {} {0.294598970361 0.588163370719 0.526174223165} O 17 1
1 {} {0.28303439093 0.685125906366 0.520559831422} 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