iterations/neb0_image06_iter159.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 {} {0.472657375712 0.231292432962 0.483990320582} O1 1 1
14 {} {0.331622851627 0.222024217315 0.56850947025} Si1 2 1
14 {} {0.609192291359 0.3163385633 0.451288515356} Si2 3 1
8 {} {0.569762005476 0.472726739155 0.442074211012} O2 4 1
8 {} {0.304930982001 0.354386893101 0.662164945415} O3 5 1
14 {} {0.282656978136 0.517401917481 0.658765670003} Si3 6 1
14 {} {0.485805204506 0.612056995173 0.44610095933} Si4 7 1
1 {} {0.336114667833 0.105692672293 0.661112070404} H1 8 1
1 {} {0.225297879735 0.20975621717 0.465801560168} H2 9 1
1 {} {0.663068471176 0.280811548883 0.316350597236} H3 10 1
1 {} {0.707650808019 0.298885449554 0.563914950477} H4 11 1
1 {} {0.1405250271 0.539634668407 0.6992081043} H5 12 1
1 {} {0.373144980029 0.585394989614 0.75404026084} H6 13 1
1 {} {0.394709635792 0.818477723486 0.512016546629} H7 14 1
1 {} {0.471756968604 0.657100558206 0.304363743989} H8 15 1
1 {} {0.579021138383 0.700524003204 0.520467409159} H10 16 1
8 {} {0.332037018535 0.572599362363 0.509670322189} O 17 1
1 {} {0.330131660017 0.777412880656 0.511218367814} 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