iterations/neb0_image02_iter38.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 {} {0.467787801106 0.237923945471 0.475147489189} O1 1 1
14 {} {0.329624455073 0.245899184368 0.562610553357} Si1 2 1
14 {} {0.595774568149 0.33091357521 0.432349154604} Si2 3 1
8 {} {0.543302775953 0.475039867652 0.374489249799} O2 4 1
8 {} {0.33426623075 0.377376208152 0.65932330637} O3 5 1
14 {} {0.26922283083 0.516665973642 0.716737542232} Si3 6 1
14 {} {0.528798202656 0.639450040921 0.378740983964} Si4 7 1
1 {} {0.322142017469 0.12330512259 0.645673515812} H1 8 1
1 {} {0.21474650677 0.253039080012 0.469127751575} H2 9 1
1 {} {0.66808462189 0.25607837095 0.327218865564} H3 10 1
1 {} {0.68439796938 0.34984385562 0.550068019995} H4 11 1
1 {} {0.123992051797 0.49917522237 0.736886181904} H5 12 1
1 {} {0.340856723867 0.547525090128 0.843281223613} H6 13 1
1 {} {0.387843386155 0.678311874226 0.358668586828} H7 14 1
1 {} {0.612326919217 0.70195070717 0.269240536903} H8 15 1
1 {} {0.569377129293 0.688429716886 0.516061750631} H10 16 1
8 {} {0.281876860503 0.637751345331 0.601943038738} O 17 1
1 {} {0.335665099423 0.71383877901 0.613490237218} 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