./iterations/neb0_image07_iter111.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.469949048267 0.223839186773 0.491311443506} O1 1 1
14 {} {0.330892283869 0.222206718334 0.578182492842} Si1 2 1
14 {} {0.601183311803 0.311923360098 0.446395582739} Si2 3 1
8 {} {0.562643230274 0.465246904255 0.405864658154} O2 4 1
8 {} {0.324440942522 0.352605851726 0.678189864083} O3 5 1
14 {} {0.298195936304 0.514828474191 0.674880940825} Si3 6 1
14 {} {0.503746965143 0.610392451752 0.451306276586} Si4 7 1
1 {} {0.327575174231 0.0999975133641 0.6621602692} H1 8 1
1 {} {0.215624407817 0.228451013925 0.484824903663} H2 9 1
1 {} {0.65793196676 0.250893525928 0.324197817157} H3 10 1
1 {} {0.697194249708 0.318300987287 0.55971538879} H4 11 1
1 {} {0.152213676686 0.541902299394 0.665631969103} H5 12 1
1 {} {0.356221666317 0.571708621518 0.79939030212} H6 13 1
1 {} {0.349747820611 0.827603085145 0.431616125841} H7 14 1
1 {} {0.4814650126 0.680271962169 0.322913082982} H8 15 1
1 {} {0.601049200196 0.686998065397 0.533475817369} H10 16 1
8 {} {0.369913741982 0.581060332445 0.542822147066} O 17 1
1 {} {0.310097493342 0.784287581021 0.478178861258} 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