./iterations/neb0_image08_iter35.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.470644584471 0.2185224387 0.488417941547} O1 1 1
14 {} {0.334211062876 0.222489219375 0.579156104064} Si1 2 1
14 {} {0.60105880858 0.306038815253 0.442962554188} Si2 3 1
8 {} {0.552548113044 0.457180165129 0.400449395718} O2 4 1
8 {} {0.331733464078 0.356941479712 0.671450871173} O3 5 1
14 {} {0.297116208053 0.517713767316 0.672272198498} Si3 6 1
14 {} {0.503752165357 0.604359027321 0.452018357587} Si4 7 1
1 {} {0.335448760151 0.10704395693 0.671162723605} H1 8 1
1 {} {0.217119796345 0.22158819875 0.488068831019} H2 9 1
1 {} {0.661768159447 0.238032468412 0.326986333323} H3 10 1
1 {} {0.698001854017 0.318866392285 0.554388184224} H4 11 1
1 {} {0.149093919827 0.532922191041 0.673839964296} H5 12 1
1 {} {0.34701937431 0.569977542361 0.802274120136} H6 13 1
1 {} {0.33245257471 0.836894155102 0.413229542402} H7 14 1
1 {} {0.48818610668 0.678998675284 0.32344954017} H8 15 1
1 {} {0.605479559385 0.67331270473 0.538767055279} H10 16 1
8 {} {0.365173885332 0.587718346567 0.54208733956} O 17 1
1 {} {0.319277735657 0.823918424348 0.490076951811} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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