iterations/neb0_image02_iter47.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467562693866 0.23671508374 0.475318681631} O1 1 1
14 {} {0.32926683651 0.24502247398 0.562804026441} Si1 2 1
14 {} {0.595376456099 0.330711405711 0.432258329569} Si2 3 1
8 {} {0.543948553559 0.474773973273 0.374241235877} O2 4 1
8 {} {0.334519655075 0.376778088261 0.659852066108} O3 5 1
14 {} {0.267957168313 0.517235971486 0.715327519631} Si3 6 1
14 {} {0.529861229422 0.638878742094 0.380030556442} Si4 7 1
1 {} {0.322743657173 0.123206499907 0.6471682435} H1 8 1
1 {} {0.213759344689 0.252785197242 0.469512561968} H2 9 1
1 {} {0.667281601328 0.258466123788 0.324373444687} H3 10 1
1 {} {0.683998529272 0.35270068539 0.550528468957} H4 11 1
1 {} {0.122051297215 0.498916396865 0.737285467079} H5 12 1
1 {} {0.340874805063 0.551418225605 0.840592814076} H6 13 1
1 {} {0.386392387566 0.676858811944 0.358386694426} H7 14 1
1 {} {0.612990464189 0.699815977087 0.27263950521} H8 15 1
1 {} {0.572651548312 0.689679108826 0.513845094403} H10 16 1
8 {} {0.281479885418 0.635475581173 0.601846216821} O 17 1
1 {} {0.337370036125 0.713079607232 0.615047060309} 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