iterations/neb0_image07_iter148.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 {} {0.471329488126 0.240305356596 0.493018098125} O1 1 1
14 {} {0.332824920621 0.222877436045 0.576691848825} Si1 2 1
14 {} {0.615274339487 0.306955296899 0.45063805589} Si2 3 1
8 {} {0.599881822413 0.469517212656 0.420222597698} O2 4 1
8 {} {0.310555296395 0.35051880561 0.679412313263} O3 5 1
14 {} {0.291369848455 0.512805086085 0.658917250418} Si3 6 1
14 {} {0.496806606586 0.596571402702 0.441005825285} Si4 7 1
1 {} {0.338527682276 0.0990550118521 0.660893084805} H1 8 1
1 {} {0.219033420061 0.214701793194 0.47949646161} H2 9 1
1 {} {0.663087318924 0.233296766968 0.332118863532} H3 10 1
1 {} {0.710382404127 0.284863973791 0.561347798873} H4 11 1
1 {} {0.147900469223 0.546971791443 0.658306978424} H5 12 1
1 {} {0.369895451556 0.586370043203 0.759679294305} H6 13 1
1 {} {0.349512449102 0.880742848068 0.482896828602} H7 14 1
1 {} {0.44729380312 0.66239460761 0.317390848241} H8 15 1
1 {} {0.572955339528 0.691467867637 0.527825510919} H10 16 1
8 {} {0.354495054527 0.550128660228 0.510725280405} O 17 1
1 {} {0.318960293001 0.822973868644 0.520470922196} 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