iterations/neb0_image02_iter30.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.468584802478 0.238536105333 0.474635288837} O1 1 1
14 {} {0.330130972972 0.24592270173 0.561676024536} Si1 2 1
14 {} {0.597073620453 0.33134689489 0.431950867816} Si2 3 1
8 {} {0.544085799427 0.476020621259 0.374058064277} O2 4 1
8 {} {0.333365279432 0.378236633479 0.660063887629} O3 5 1
14 {} {0.270461287201 0.518540498574 0.717334322458} Si3 6 1
14 {} {0.529275390238 0.640647134749 0.378372813333} Si4 7 1
1 {} {0.321294621425 0.12255939358 0.645149095804} H1 8 1
1 {} {0.214532499301 0.253723437777 0.467975596237} H2 9 1
1 {} {0.669435848461 0.252519939089 0.329386226168} H3 10 1
1 {} {0.685256065247 0.346838427391 0.550822143919} H4 11 1
1 {} {0.125166436167 0.498150475934 0.736566390722} H5 12 1
1 {} {0.341266635165 0.543249451015 0.846744760322} H6 13 1
1 {} {0.388235192725 0.682660628033 0.357297302144} H7 14 1
1 {} {0.609443390977 0.702613083961 0.268413024338} H8 15 1
1 {} {0.565910675731 0.68648040694 0.515447822393} H10 16 1
8 {} {0.281415412304 0.637238268231 0.604451325314} O 17 1
1 {} {0.33515221744 0.717233862907 0.610713031786} 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