iterations/neb0_image03_iter276.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457554413976 0.263945040313 0.484232803862} O1 1 1
14 {} {0.324595814294 0.240712757279 0.576099669616} Si1 2 1
14 {} {0.588356139493 0.347273870943 0.431083557374} Si2 3 1
8 {} {0.542925538041 0.492826302281 0.371323793254} O2 4 1
8 {} {0.304323270675 0.361095417415 0.685748367188} O3 5 1
14 {} {0.251243735443 0.508795207372 0.733309031612} Si3 6 1
14 {} {0.565237066162 0.655819141862 0.369074096466} Si4 7 1
1 {} {0.341757812181 0.113846562636 0.650388606444} H1 8 1
1 {} {0.206868241754 0.236913134297 0.485474043192} H2 9 1
1 {} {0.649006389802 0.269383708777 0.320235233833} H3 10 1
1 {} {0.683531543659 0.366761951415 0.544284921649} H4 11 1
1 {} {0.103182552255 0.500217829965 0.750679224524} H5 12 1
1 {} {0.318165284398 0.545217074184 0.860134677711} H6 13 1
1 {} {0.431167945736 0.718200956578 0.354478696746} H7 14 1
1 {} {0.649559398401 0.693416724066 0.250879298415} H8 15 1
1 {} {0.629904608119 0.701825334246 0.495628315618} H10 16 1
8 {} {0.297818474942 0.626542171668 0.629220824878} O 17 1
1 {} {0.264887870623 0.629724828135 0.538782423394} 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