iterations/neb0_image01_iter278.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.461144487691 0.260143445528 0.480695471339} O1 1 1
14 {} {0.327056032055 0.247823031186 0.574147813577} Si1 2 1
14 {} {0.594105111611 0.340074035857 0.426531550341} Si2 3 1
8 {} {0.551845329388 0.47904736226 0.350612701092} O2 4 1
8 {} {0.322649320003 0.366916564563 0.687102970452} O3 5 1
14 {} {0.253629163276 0.510529410244 0.731389616526} Si3 6 1
14 {} {0.541249853117 0.643293366373 0.358701815115} Si4 7 1
1 {} {0.334116164555 0.116624854861 0.644699904866} H1 8 1
1 {} {0.207002005483 0.256179130146 0.485325619395} H2 9 1
1 {} {0.660762759744 0.252154855739 0.326908104498} H3 10 1
1 {} {0.682646888173 0.37241500381 0.542424024814} H4 11 1
1 {} {0.106370685909 0.493041379743 0.743640415708} H5 12 1
1 {} {0.319293581243 0.550487643503 0.859030188593} H6 13 1
1 {} {0.409743632665 0.684421397702 0.30235135492} H7 14 1
1 {} {0.653063207168 0.704781520686 0.281443691218} H8 15 1
1 {} {0.550806061322 0.689286533148 0.501442785571} H10 16 1
8 {} {0.275142348487 0.628450097019 0.616510302592} O 17 1
1 {} {0.35945928505 0.676847987092 0.6180995607} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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