iterations/neb0_image07_iter222.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 {} {0.475162004877 0.226204604486 0.496687457166} O1 1 1
14 {} {0.335230486937 0.21501406953 0.581715933157} Si1 2 1
14 {} {0.616067872293 0.298767883393 0.453337170201} Si2 3 1
8 {} {0.596874329623 0.459927547309 0.426064628078} O2 4 1
8 {} {0.309430135078 0.348645350502 0.674942339682} O3 5 1
14 {} {0.290916881746 0.510841299835 0.648528761879} Si3 6 1
14 {} {0.496187038211 0.589367348844 0.432368883572} Si4 7 1
1 {} {0.343621129339 0.0989858420362 0.673594431044} H1 8 1
1 {} {0.222879939826 0.201140781737 0.485256143876} H2 9 1
1 {} {0.659506597398 0.232732379554 0.327447946427} H3 10 1
1 {} {0.716855612516 0.286661915475 0.562785676851} H4 11 1
1 {} {0.147307490903 0.550146132305 0.64714212048} H5 12 1
1 {} {0.367220557762 0.57950284044 0.756624722355} H6 13 1
1 {} {0.341044449909 0.926581488163 0.505639656298} H7 14 1
1 {} {0.470203446121 0.633317390284 0.293038170977} H8 15 1
1 {} {0.557827649367 0.693556055783 0.518422949829} H10 16 1
8 {} {0.350631985324 0.550519420256 0.500301002071} O 17 1
1 {} {0.313118283554 0.870605470274 0.547159772647} 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