./iterations/neb0_image01_iter49.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 {} {0.467563240432 0.240670107077 0.472409345757} O1 1 1
14 {} {0.328404056927 0.249003920155 0.558997062617} Si1 2 1
14 {} {0.598189491277 0.331294655226 0.431094240723} Si2 3 1
8 {} {0.551332015033 0.475301317804 0.368586746488} O2 4 1
8 {} {0.334017911483 0.379693643544 0.65813623362} O3 5 1
14 {} {0.2655354318 0.514874392263 0.722801185733} Si3 6 1
14 {} {0.530088721921 0.63839214128 0.374132565183} Si4 7 1
1 {} {0.319182580089 0.125242990626 0.640857538643} H1 8 1
1 {} {0.213661310973 0.260190584363 0.464829518369} H2 9 1
1 {} {0.671345173184 0.255918753643 0.326446967312} H3 10 1
1 {} {0.68310688737 0.35453697798 0.551337926745} H4 11 1
1 {} {0.12057669407 0.49184088075 0.74564790401} H5 12 1
1 {} {0.341339110346 0.54292960923 0.847757938547} H6 13 1
1 {} {0.387668159307 0.670986355802 0.345825388669} H7 14 1
1 {} {0.61778339249 0.703382730142 0.272728814752} H8 15 1
1 {} {0.564540713046 0.690058347587 0.510473890772} H10 16 1
8 {} {0.270086003051 0.643903403222 0.619838236614} O 17 1
1 {} {0.345665254857 0.704297142466 0.619156480148} 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