iterations/neb0_image07_iter106.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 {} {0.469880401947 0.22362075742 0.491912988213} O1 1 1
14 {} {0.330693406925 0.221914123654 0.5785295749} Si1 2 1
14 {} {0.600637948166 0.312068279171 0.446370093048} Si2 3 1
8 {} {0.562403066129 0.465536872425 0.405440560371} O2 4 1
8 {} {0.324552220403 0.352275264792 0.678310705334} O3 5 1
14 {} {0.297986875184 0.514506274608 0.675505911176} Si3 6 1
14 {} {0.503826988059 0.610516247267 0.451416739906} Si4 7 1
1 {} {0.327535647995 0.100194875527 0.662542165975} H1 8 1
1 {} {0.215835526435 0.228621613668 0.485179162352} H2 9 1
1 {} {0.657915600127 0.251511345756 0.323865739839} H3 10 1
1 {} {0.696945808406 0.318326428974 0.559781556321} H4 11 1
1 {} {0.151911768928 0.542004364128 0.665748691654} H5 12 1
1 {} {0.355866316724 0.571130500041 0.800215196893} H6 13 1
1 {} {0.349944104029 0.827349245197 0.430757202842} H7 14 1
1 {} {0.48313035708 0.680443011646 0.322281418411} H8 15 1
1 {} {0.601684610679 0.686410725852 0.532725307255} H10 16 1
8 {} {0.370542706915 0.581586710205 0.543536625863} O 17 1
1 {} {0.308792776648 0.784501299576 0.476938302197} 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