iterations/neb0_image07_iter3.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.4714629135 0.22331150054 0.489514755869} O1 1 1
14 {} {0.333498128942 0.226639197156 0.581253346134} Si1 2 1
14 {} {0.603696370574 0.303128202664 0.442270849823} Si2 3 1
8 {} {0.56399242309 0.457382051275 0.388618265118} O2 4 1
8 {} {0.328975111582 0.356288300583 0.669871402936} O3 5 1
14 {} {0.283299441018 0.515986992033 0.690612501627} Si3 6 1
14 {} {0.513127217274 0.603223208255 0.43057016579} Si4 7 1
1 {} {0.33662461748 0.11139394086 0.673812974065} H1 8 1
1 {} {0.217251984184 0.220819941436 0.489059943929} H2 9 1
1 {} {0.662542339635 0.231772145301 0.32710132347} H3 10 1
1 {} {0.698946730485 0.316793526442 0.554870702033} H4 11 1
1 {} {0.137420707431 0.519807473924 0.6846205727} H5 12 1
1 {} {0.344778239662 0.561174898457 0.814739256016} H6 13 1
1 {} {0.336773849011 0.84150262157 0.394561425746} H7 14 1
1 {} {0.524858720125 0.685223174 0.302751681572} H8 15 1
1 {} {0.595650668151 0.671466725316 0.525149455627} H10 16 1
8 {} {0.343256207726 0.606139921252 0.560955774434} O 17 1
1 {} {0.313930472306 0.820464138984 0.510723605631} 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