./iterations/neb0_image04_iter5.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 {} {0.469532427375 0.232999174484 0.481257039779} O1 1 1
14 {} {0.33071249712 0.236487358063 0.568652621194} Si1 2 1
14 {} {0.603073325643 0.313549580232 0.438232389136} Si2 3 1
8 {} {0.561937794444 0.465263398084 0.378143876432} O2 4 1
8 {} {0.332308920353 0.364325588556 0.662866411846} O3 5 1
14 {} {0.272719787272 0.51699296249 0.713583224735} Si3 6 1
14 {} {0.515820983731 0.623359863694 0.401359304646} Si4 7 1
1 {} {0.327428011151 0.11834617654 0.657465053438} H1 8 1
1 {} {0.215454025957 0.241108823502 0.475989973319} H2 9 1
1 {} {0.668658822555 0.239576946693 0.328134007746} H3 10 1
1 {} {0.692687728861 0.332433154706 0.554937124848} H4 11 1
1 {} {0.127510327918 0.503985649568 0.714925540416} H5 12 1
1 {} {0.343644918395 0.546994787206 0.835315547059} H6 13 1
1 {} {0.362530835047 0.767284153648 0.365137036809} H7 14 1
1 {} {0.568971739758 0.695586708485 0.282995348824} H8 15 1
1 {} {0.579720485701 0.680196229149 0.520023404683} H10 16 1
8 {} {0.314449031933 0.642133555572 0.586841518248} O 17 1
1 {} {0.322924473197 0.751893847207 0.565198580374} 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