iterations/neb0_image08_iter152.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471160210069 0.227606916644 0.493204079667} O1 1 1
14 {} {0.33036548928 0.220427435704 0.576946697434} Si1 2 1
14 {} {0.609874233685 0.302424870922 0.448926844772} Si2 3 1
8 {} {0.583900117316 0.459908955516 0.409139515735} O2 4 1
8 {} {0.319082167273 0.348777789499 0.679422357093} O3 5 1
14 {} {0.301442786821 0.512444190892 0.673818295341} Si3 6 1
14 {} {0.511135986791 0.601260136916 0.450955770964} Si4 7 1
1 {} {0.328359478455 0.0948877347148 0.657143583729} H1 8 1
1 {} {0.217789890984 0.223922276414 0.47931421222} H2 9 1
1 {} {0.662655987214 0.230825797259 0.330079811233} H3 10 1
1 {} {0.705909646611 0.295585903314 0.562639009283} H4 11 1
1 {} {0.157985257354 0.547918216516 0.658832502689} H5 12 1
1 {} {0.36408275349 0.568421079061 0.796282270669} H6 13 1
1 {} {0.322335343809 0.885662798603 0.455506952783} H7 14 1
1 {} {0.463826841649 0.672125280648 0.330038568078} H8 15 1
1 {} {0.607283334993 0.681407105534 0.531132980541} H10 16 1
8 {} {0.37692726532 0.572571809441 0.541701063126} O 17 1
1 {} {0.275969440843 0.826339594339 0.455973307863} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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