iterations/neb0_image04_iter186.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 {} {0.466113387575 0.252603025171 0.488396909331} O1 1 1
14 {} {0.326360142044 0.229758399405 0.570531261247} Si1 2 1
14 {} {0.592358089064 0.345985239316 0.44299004128} Si2 3 1
8 {} {0.5426962458 0.499016024142 0.415042616168} O2 4 1
8 {} {0.294731830658 0.350369510913 0.676515665944} O3 5 1
14 {} {0.254777411366 0.507494901947 0.704947543699} Si3 6 1
14 {} {0.561263941159 0.661964026038 0.398827408377} Si4 7 1
1 {} {0.339560789052 0.10551179451 0.651085888249} H1 8 1
1 {} {0.215151182543 0.219235291665 0.471547688113} H2 9 1
1 {} {0.647968575746 0.290621829632 0.316645201791} H3 10 1
1 {} {0.69233327058 0.344901699956 0.553724982786} H4 11 1
1 {} {0.111572133646 0.51724003253 0.742154188972} H5 12 1
1 {} {0.340719802458 0.55560040292 0.816106598114} H6 13 1
1 {} {0.431805642373 0.732875942546 0.419667188505} H7 14 1
1 {} {0.608953148743 0.691430038056 0.260120397498} H8 15 1
1 {} {0.659811773626 0.711602097681 0.50000402156} H10 16 1
8 {} {0.287279053303 0.589801247218 0.566137923554} O 17 1
1 {} {0.236629616476 0.666506358172 0.536612564873} 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