iterations/neb0_image07_iter203.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47315332857 0.232533917544 0.495517305426} O1 1 1
14 {} {0.333448840815 0.218462500861 0.580462391668} Si1 2 1
14 {} {0.615484851745 0.301944649147 0.451527803268} Si2 3 1
8 {} {0.597963221654 0.462805992297 0.422100949309} O2 4 1
8 {} {0.307070310996 0.348871086379 0.678321936529} O3 5 1
14 {} {0.290994656638 0.510613301471 0.652931713989} Si3 6 1
14 {} {0.49597305626 0.591030700274 0.435320071952} Si4 7 1
1 {} {0.344326106744 0.0987121869572 0.667360852814} H1 8 1
1 {} {0.221496120187 0.20856113809 0.482466333492} H2 9 1
1 {} {0.661754794474 0.234805314236 0.32679951251} H3 10 1
1 {} {0.713682130375 0.287779207781 0.562775593979} H4 11 1
1 {} {0.14776735562 0.549827532798 0.651890227443} H5 12 1
1 {} {0.368018168488 0.580917922524 0.759394916427} H6 13 1
1 {} {0.34424266443 0.912105218625 0.499593228219} H7 14 1
1 {} {0.468064505106 0.63975418492 0.298233004893} H8 15 1
1 {} {0.559136816371 0.692545239269 0.523740471715} H10 16 1
8 {} {0.352227343558 0.546813804147 0.504410090795} O 17 1
1 {} {0.315281667598 0.85443392417 0.538211402288} 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