iterations/neb0_image04_iter164.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 {} {0.465252413079 0.248184760334 0.487065672205} O1 1 1
14 {} {0.325792326575 0.230647866251 0.5718490095} Si1 2 1
14 {} {0.589388197363 0.345101238636 0.442722516311} Si2 3 1
8 {} {0.537906981816 0.497165656749 0.412118660811} O2 4 1
8 {} {0.300716333005 0.3535647378 0.676968745537} O3 5 1
14 {} {0.257343887126 0.509638639335 0.706656385084} Si3 6 1
14 {} {0.55500677237 0.66033907563 0.398889028778} Si4 7 1
1 {} {0.337874051417 0.106162381848 0.652038494406} H1 8 1
1 {} {0.215516521022 0.219815796398 0.472312062403} H2 9 1
1 {} {0.648617629782 0.289529907787 0.317941195101} H3 10 1
1 {} {0.691947391479 0.34495893846 0.552078784053} H4 11 1
1 {} {0.111586394463 0.518814215867 0.735719615091} H5 12 1
1 {} {0.342198403128 0.554300428114 0.820003020117} H6 13 1
1 {} {0.426132490955 0.733261704498 0.416503981676} H7 14 1
1 {} {0.606628120504 0.691384327706 0.262419426391} H8 15 1
1 {} {0.649198777342 0.71057038452 0.502988967022} H10 16 1
8 {} {0.298209516578 0.591896928765 0.570306874367} O 17 1
1 {} {0.250769841276 0.667180868366 0.532475623234} 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