iterations/neb0_image06_iter127.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.470196288565 0.228142334402 0.488949516162} O1 1 1
14 {} {0.32923103943 0.224461253827 0.573365424038} Si1 2 1
14 {} {0.601510407644 0.318856316872 0.449494171588} Si2 3 1
8 {} {0.562184481333 0.474893414688 0.421067241144} O2 4 1
8 {} {0.320868449696 0.354618306509 0.674459642344} O3 5 1
14 {} {0.291574234497 0.515326754274 0.666084358693} Si3 6 1
14 {} {0.492772514685 0.619468921682 0.44517594486} Si4 7 1
1 {} {0.329938673131 0.10206538086 0.657301427486} H1 8 1
1 {} {0.213946558917 0.224300384814 0.477787170018} H2 9 1
1 {} {0.655777723673 0.262561762453 0.323295942985} H3 10 1
1 {} {0.700748450861 0.319925293443 0.560865398251} H4 11 1
1 {} {0.144003545575 0.535970761791 0.678539316433} H5 12 1
1 {} {0.36329422495 0.580007530767 0.779457725733} H6 13 1
1 {} {0.383396385647 0.803189118108 0.472436474494} H7 14 1
1 {} {0.483626326041 0.679196694615 0.307584858575} H8 15 1
1 {} {0.590477726716 0.698807515841 0.529526632932} H10 16 1
8 {} {0.347451262044 0.573786340641 0.521353439026} O 17 1
1 {} {0.329087791697 0.756939822554 0.504313299258} 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