./iterations/neb0_image04_iter214.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 {} {0.465299409201 0.256849066375 0.488691410226} O1 1 1
14 {} {0.325900186246 0.228912560933 0.570033814558} Si1 2 1
14 {} {0.593092170192 0.349115501043 0.445242482273} Si2 3 1
8 {} {0.54817044357 0.503490687446 0.420810702122} O2 4 1
8 {} {0.290736125947 0.348377625803 0.677360089486} O3 5 1
14 {} {0.249231204956 0.505290545255 0.703724873955} Si3 6 1
14 {} {0.57064498131 0.664551586064 0.39970734527} Si4 7 1
1 {} {0.341765427125 0.102711315173 0.648205596693} H1 8 1
1 {} {0.21627319087 0.216838558083 0.469484907517} H2 9 1
1 {} {0.646546939107 0.291419640508 0.319916048761} H3 10 1
1 {} {0.696075154319 0.345183875145 0.552331575979} H4 11 1
1 {} {0.106566713861 0.516530205047 0.74772821286} H5 12 1
1 {} {0.343897404223 0.557819096513 0.806417164969} H6 13 1
1 {} {0.441874107259 0.732857207478 0.425392855518} H7 14 1
1 {} {0.612713347673 0.690820827643 0.259781552129} H8 15 1
1 {} {0.676400794291 0.714031313932 0.492200374404} H10 16 1
8 {} {0.269079537826 0.584285812404 0.559765720388} O 17 1
1 {} {0.215818866419 0.663432435563 0.544263427697} 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