./iterations/neb0_image04_iter195.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 {} {0.465347464303 0.253022780863 0.488331784985} O1 1 1
14 {} {0.325508534758 0.229482892369 0.571031725476} Si1 2 1
14 {} {0.59244929075 0.346812807941 0.443656445585} Si2 3 1
8 {} {0.544471910362 0.500600343701 0.416298670631} O2 4 1
8 {} {0.29360485401 0.350484724507 0.676404211127} O3 5 1
14 {} {0.253602789001 0.506483375504 0.704442104731} Si3 6 1
14 {} {0.563479432016 0.663112694532 0.39927406865} Si4 7 1
1 {} {0.340277532592 0.104713493046 0.650088409697} H1 8 1
1 {} {0.215848338862 0.218815075089 0.471296416743} H2 9 1
1 {} {0.647902856922 0.290166268458 0.316995692888} H3 10 1
1 {} {0.694010241788 0.345215329743 0.55383203197} H4 11 1
1 {} {0.110180165661 0.51703760149 0.743453402121} H5 12 1
1 {} {0.341450881196 0.556156307444 0.813307679568} H6 13 1
1 {} {0.433957934349 0.732859082614 0.420641448368} H7 14 1
1 {} {0.609633470334 0.691139743165 0.26007394865} H8 15 1
1 {} {0.664476464368 0.711903256432 0.498284489399} H10 16 1
8 {} {0.283121980161 0.588461116976 0.564271689941} O 17 1
1 {} {0.230761889523 0.666050972336 0.539373887781} 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