./iterations/neb0_image05_iter116.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 {} {0.471608371195 0.228051494152 0.489650530248} O1 1 1
14 {} {0.330414934579 0.223953137556 0.572399486232} Si1 2 1
14 {} {0.59340426721 0.332600337513 0.449669099474} Si2 3 1
8 {} {0.533601786971 0.483469551402 0.429414074793} O2 4 1
8 {} {0.322842743969 0.35775502746 0.670609036076} O3 5 1
14 {} {0.285473629976 0.515763704538 0.676626359259} Si3 6 1
14 {} {0.508355425581 0.651342343436 0.428142353757} Si4 7 1
1 {} {0.32916418097 0.103183109374 0.659512309742} H1 8 1
1 {} {0.212523434331 0.225317919944 0.479901172714} H2 9 1
1 {} {0.648970216992 0.277653167276 0.323596814998} H3 10 1
1 {} {0.696020974552 0.327437213341 0.558666941105} H4 11 1
1 {} {0.138496706481 0.534369651297 0.686374985344} H5 12 1
1 {} {0.360208147115 0.577270663665 0.788713569692} H6 13 1
1 {} {0.414748043034 0.776760082987 0.442976309809} H7 14 1
1 {} {0.522799980861 0.675106679739 0.280026546044} H8 15 1
1 {} {0.611586709614 0.698201672101 0.528398283923} H10 16 1
8 {} {0.330245875703 0.59495821422 0.534659350747} O 17 1
1 {} {0.299620641611 0.689323946069 0.53172078005} 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