./iterations/neb0_image06_iter143.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.472032751653 0.231271524677 0.484454596322} O1 1 1
14 {} {0.331253271184 0.222558923015 0.569216846973} Si1 2 1
14 {} {0.605849820196 0.32018420994 0.450577370517} Si2 3 1
8 {} {0.57474924053 0.477530691248 0.434076088757} O2 4 1
8 {} {0.310859034527 0.35154619729 0.667851493365} O3 5 1
14 {} {0.284817878749 0.513845583684 0.661162303446} Si3 6 1
14 {} {0.485701155651 0.613038276618 0.446363338367} Si4 7 1
1 {} {0.332193902212 0.105502220461 0.660820315666} H1 8 1
1 {} {0.21960998637 0.217454438043 0.47090308128} H2 9 1
1 {} {0.659253185158 0.272115049084 0.322192108081} H3 10 1
1 {} {0.703580620546 0.310215599364 0.559910374449} H4 11 1
1 {} {0.139394932555 0.53733613628 0.691848703861} H5 12 1
1 {} {0.370391242826 0.58787881065 0.759230010658} H6 13 1
1 {} {0.394361930575 0.810212403969 0.498949967623} H7 14 1
1 {} {0.474392979315 0.666704268521 0.309541876495} H8 15 1
1 {} {0.585869910391 0.697743495744 0.52193916658} H10 16 1
8 {} {0.333755997875 0.569076747726 0.511130941362} O 17 1
1 {} {0.33201817022 0.768303278289 0.510889406318} 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