iterations/neb0_image04_iter128.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 {} {0.466384075104 0.239284397367 0.489147757675} O1 1 1
14 {} {0.327603010586 0.228088680048 0.575329073935} Si1 2 1
14 {} {0.586038199081 0.341095921942 0.440917424961} Si2 3 1
8 {} {0.525456795331 0.488584674436 0.406889422481} O2 4 1
8 {} {0.315896158536 0.354566228503 0.680460204126} O3 5 1
14 {} {0.276338654954 0.51192482453 0.701045838698} Si3 6 1
14 {} {0.533137969684 0.654749672339 0.401855236694} Si4 7 1
1 {} {0.331252484369 0.102624383166 0.654969526974} H1 8 1
1 {} {0.209594883781 0.229938980409 0.483808260112} H2 9 1
1 {} {0.644781860228 0.279248408404 0.31884114973} H3 10 1
1 {} {0.686292375575 0.35399949486 0.551077244978} H4 11 1
1 {} {0.12898081016 0.527722187984 0.700893148603} H5 12 1
1 {} {0.34057397012 0.557509267954 0.826291745767} H6 13 1
1 {} {0.407833336437 0.736221237436 0.397204142586} H7 14 1
1 {} {0.594373662346 0.685497154143 0.269608091714} H8 15 1
1 {} {0.616590927875 0.703150731777 0.515889605728} H10 16 1
8 {} {0.335827802142 0.602233026815 0.57586567164} O 17 1
1 {} {0.283129088265 0.676078647452 0.540964458265} 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