./iterations/neb0_image04_iter70.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 {} {0.46777302754 0.229401553298 0.483694526686} O1 1 1
14 {} {0.330639055659 0.232009291033 0.574059994777} Si1 2 1
14 {} {0.5865458783 0.333854741695 0.43816554969} Si2 3 1
8 {} {0.52041256238 0.479934705444 0.402740714664} O2 4 1
8 {} {0.326368598971 0.363532667472 0.673643624531} O3 5 1
14 {} {0.278635978511 0.517387984405 0.700915416072} Si3 6 1
14 {} {0.522508516551 0.645617455243 0.404954986791} Si4 7 1
1 {} {0.330065793719 0.11433239095 0.664707278483} H1 8 1
1 {} {0.213183332989 0.234107589977 0.48230255605} H2 9 1
1 {} {0.651838104051 0.27685106623 0.317552556276} H3 10 1
1 {} {0.682746761003 0.350111220935 0.550232590257} H4 11 1
1 {} {0.129867916506 0.528272839905 0.701255448428} H5 12 1
1 {} {0.338154286647 0.562511841967 0.829508696885} H6 13 1
1 {} {0.396207821791 0.727418800987 0.392977815246} H7 14 1
1 {} {0.585180672624 0.683213649047 0.275735549836} H8 15 1
1 {} {0.60409488212 0.693900913933 0.519448663831} H10 16 1
8 {} {0.340518926539 0.607651190665 0.576864912534} O 17 1
1 {} {0.305344010529 0.692408059806 0.542297109965} 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