./iterations/neb0_image04_iter248.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465631044291 0.261225688345 0.491242174267} O1 1 1
14 {} {0.325073682673 0.229354681777 0.568509058527} Si1 2 1
14 {} {0.597061174796 0.348115275575 0.447282592861} Si2 3 1
8 {} {0.55476110604 0.50487519807 0.426011161344} O2 4 1
8 {} {0.286128044355 0.347716917031 0.675453405363} O3 5 1
14 {} {0.243665544361 0.503582104169 0.700875594873} Si3 6 1
14 {} {0.578863931303 0.66529974845 0.400325605257} Si4 7 1
1 {} {0.343380745988 0.104970838312 0.646556433899} H1 8 1
1 {} {0.21745325027 0.214625054284 0.466768079017} H2 9 1
1 {} {0.647880736512 0.290099204684 0.319017220797} H3 10 1
1 {} {0.700853356828 0.341012614814 0.555272042446} H4 11 1
1 {} {0.10636417158 0.510580088171 0.758943795354} H5 12 1
1 {} {0.343918375853 0.560741801941 0.795019101194} H6 13 1
1 {} {0.452954595975 0.738051804964 0.43480820387} H7 14 1
1 {} {0.614053883757 0.690210163066 0.257272238328} H8 15 1
1 {} {0.690798622432 0.71601390442 0.485185764453} H10 16 1
8 {} {0.244023798271 0.580709846131 0.554584841529} O 17 1
1 {} {0.197219898138 0.665332893028 0.54793092089} 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