./iterations/neb0_image01_iter283.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.461128370442 0.260241173086 0.480624864635} O1 1 1
14 {} {0.326992342299 0.247186975544 0.574379754272} Si1 2 1
14 {} {0.593395380299 0.339854391822 0.427071767591} Si2 3 1
8 {} {0.551360739361 0.479446717382 0.351353757054} O2 4 1
8 {} {0.322788045491 0.366766654566 0.687687835046} O3 5 1
14 {} {0.254146126274 0.510206352576 0.73069672697} Si3 6 1
14 {} {0.541060830107 0.643485578548 0.358759190289} Si4 7 1
1 {} {0.334410890893 0.116331627431 0.644815649485} H1 8 1
1 {} {0.207092301053 0.255805770864 0.486222603525} H2 9 1
1 {} {0.660311661963 0.252340165014 0.327338447911} H3 10 1
1 {} {0.682526712118 0.372168230602 0.54232296144} H4 11 1
1 {} {0.106806968313 0.493040796991 0.742659274165} H5 12 1
1 {} {0.31874862478 0.55057682161 0.858566789738} H6 13 1
1 {} {0.410341030906 0.685786334561 0.301852357593} H7 14 1
1 {} {0.653283709867 0.704614568747 0.281503239462} H8 15 1
1 {} {0.550442951638 0.68978622146 0.501431012807} H10 16 1
8 {} {0.276069587591 0.627172745598 0.61588911904} O 17 1
1 {} {0.359179644052 0.677706475514 0.617882532468} 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
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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