./iterations/neb0_image04_iter148.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 {} {0.463890566609 0.246891399178 0.485562922912} O1 1 1
14 {} {0.326520693485 0.229017185666 0.572560300357} Si1 2 1
14 {} {0.587278267027 0.344844752973 0.442225774173} Si2 3 1
8 {} {0.533511058972 0.496924629655 0.4122100682} O2 4 1
8 {} {0.306364108577 0.352778898946 0.677630106967} O3 5 1
14 {} {0.261077003656 0.509736474382 0.705718284616} Si3 6 1
14 {} {0.547653191411 0.661683402758 0.402257189216} Si4 7 1
1 {} {0.335158393619 0.104836315388 0.653026165146} H1 8 1
1 {} {0.215008705003 0.221854699496 0.4750033166} H2 9 1
1 {} {0.648109672291 0.284692237634 0.320743400719} H3 10 1
1 {} {0.691839869963 0.347820365212 0.549294637707} H4 11 1
1 {} {0.113535960465 0.521946057658 0.726929686213} H5 12 1
1 {} {0.342852158123 0.554389804015 0.821123036046} H6 13 1
1 {} {0.420351743193 0.732971377755 0.411274636109} H7 14 1
1 {} {0.603379148747 0.690735149391 0.264166701925} H8 15 1
1 {} {0.644251264043 0.709342913225 0.506201860204} H10 16 1
8 {} {0.307994902355 0.593739681873 0.572863439762} O 17 1
1 {} {0.261309347889 0.668312520803 0.532266511696} 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