./iterations/neb0_image04_iter104.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467313943425 0.234275624949 0.489900493931} O1 1 1
14 {} {0.32912207141 0.228305702639 0.577316778158} Si1 2 1
14 {} {0.583345561022 0.34085428089 0.441024136647} Si2 3 1
8 {} {0.518329301496 0.486326567838 0.403022229322} O2 4 1
8 {} {0.321814368571 0.356201338972 0.681777107194} O3 5 1
14 {} {0.278304461245 0.512840323475 0.701964589192} Si3 6 1
14 {} {0.528331899312 0.650712675528 0.400592220424} Si4 7 1
1 {} {0.329782107526 0.102300808198 0.65692954221} H1 8 1
1 {} {0.211161777489 0.232834569721 0.485317288211} H2 9 1
1 {} {0.644538624645 0.284179652763 0.319187851928} H3 10 1
1 {} {0.683310684185 0.351542585564 0.551086054161} H4 11 1
1 {} {0.130675460786 0.532066508289 0.692812880275} H5 12 1
1 {} {0.341969491894 0.560081144415 0.82690752} H6 13 1
1 {} {0.405571638156 0.734270716554 0.39409721916} H7 14 1
1 {} {0.594322809304 0.68231268628 0.27003147412} H8 15 1
1 {} {0.605908658779 0.701434844466 0.518470723901} H10 16 1
8 {} {0.343039992998 0.603107437472 0.578015853245} O 17 1
1 {} {0.293243244662 0.678870474705 0.542604027149} 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