./iterations/neb0_image05_iter14.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 {} {0.469183679463 0.227788261632 0.483080941366} O1 1 1
14 {} {0.331470430377 0.230970171017 0.572052518768} Si1 2 1
14 {} {0.602967574018 0.312279590995 0.438904157754} Si2 3 1
8 {} {0.556411448275 0.463899215596 0.384340933759} O2 4 1
8 {} {0.332024197682 0.366245959485 0.668288281032} O3 5 1
14 {} {0.279977197885 0.522542040348 0.696119633549} Si3 6 1
14 {} {0.510775579136 0.625055694509 0.413897038267} Si4 7 1
1 {} {0.330559816096 0.113457503316 0.662982158511} H1 8 1
1 {} {0.214924264461 0.234058134577 0.478775207911} H2 9 1
1 {} {0.667090430132 0.237487824326 0.326954678352} H3 10 1
1 {} {0.69530245617 0.327989595027 0.555428573653} H4 11 1
1 {} {0.126866051715 0.50997571551 0.70758606868} H5 12 1
1 {} {0.343596105002 0.552549900827 0.83264298699} H6 13 1
1 {} {0.354611830738 0.787885973957 0.391927223943} H7 14 1
1 {} {0.551424569207 0.690891198716 0.284617717747} H8 15 1
1 {} {0.5880281149 0.678843430877 0.529397589991} H10 16 1
8 {} {0.329798971133 0.636121583069 0.571839148558} O 17 1
1 {} {0.325073427963 0.754476161967 0.532223138278} 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