iterations/neb0_image08_iter254.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 {} {0.472720823237 0.221928732918 0.493882635929} O1 1 1
14 {} {0.33186036877 0.217432119694 0.577216308287} Si1 2 1
14 {} {0.613782502922 0.294878763857 0.452958174732} Si2 3 1
8 {} {0.590139810371 0.454552957187 0.424667678197} O2 4 1
8 {} {0.315150020263 0.350815073729 0.671839761875} O3 5 1
14 {} {0.299466936579 0.514264410867 0.66509925486} Si3 6 1
14 {} {0.509820771282 0.596019331674 0.445963229848} Si4 7 1
1 {} {0.33351474943 0.0990410263567 0.666515010315} H1 8 1
1 {} {0.220822135161 0.210666692772 0.47826587446} H2 9 1
1 {} {0.663273648123 0.231904955393 0.328024429344} H3 10 1
1 {} {0.711007049525 0.279854706394 0.564720416125} H4 11 1
1 {} {0.156287117624 0.552636347451 0.658196067835} H5 12 1
1 {} {0.367298932877 0.569838776486 0.785225710751} H6 13 1
1 {} {0.31231058136 0.915887602063 0.475321294969} H7 14 1
1 {} {0.472736561988 0.652072349007 0.313322844109} H8 15 1
1 {} {0.596833581522 0.687992694141 0.524834688947} H10 16 1
8 {} {0.36887255692 0.57199839378 0.527417219634} O 17 1
1 {} {0.274188076062 0.850732952161 0.477587124968} 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