./iterations/neb0_image07_iter168.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471023539894 0.241265630828 0.492579051169} O1 1 1
14 {} {0.332484141513 0.222574420109 0.578596633159} Si1 2 1
14 {} {0.616269215906 0.30435116471 0.451621263457} Si2 3 1
8 {} {0.598740014172 0.465241832053 0.418288718034} O2 4 1
8 {} {0.304646298977 0.348331969191 0.682659158334} O3 5 1
14 {} {0.290802610408 0.510303658874 0.655992266256} Si3 6 1
14 {} {0.495142618045 0.59235771175 0.438075001725} Si4 7 1
1 {} {0.343850802705 0.100361694945 0.66213967777} H1 8 1
1 {} {0.222142226367 0.213913543168 0.47887497026} H2 9 1
1 {} {0.664634910831 0.236686180683 0.328395087392} H3 10 1
1 {} {0.713052314219 0.282107529566 0.564037877778} H4 11 1
1 {} {0.147570362617 0.548392765309 0.658124270855} H5 12 1
1 {} {0.368798089226 0.584732770785 0.757807248674} H6 13 1
1 {} {0.347987689339 0.897597098286 0.493908965415} H7 14 1
1 {} {0.458248140256 0.650703509874 0.306596293496} H8 15 1
1 {} {0.563201329924 0.691309065271 0.526799003549} H10 16 1
8 {} {0.353829587585 0.544022355941 0.50758678493} O 17 1
1 {} {0.317662090939 0.83826491592 0.528975560622} 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