./iterations/neb0_image08_iter249.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472763739468 0.223152967544 0.493631689351} O1 1 1
14 {} {0.331658276382 0.217859957302 0.576846906745} Si1 2 1
14 {} {0.613562556905 0.295291685624 0.45254617765} Si2 3 1
8 {} {0.590864534745 0.45509466431 0.422487856403} O2 4 1
8 {} {0.314873543001 0.350287672793 0.673169362523} O3 5 1
14 {} {0.299913202178 0.514189224836 0.666153371729} Si3 6 1
14 {} {0.51041332974 0.595950133115 0.446938820141} Si4 7 1
1 {} {0.332911895546 0.0985375559381 0.664734230791} H1 8 1
1 {} {0.220325863291 0.212167968389 0.478403584117} H2 9 1
1 {} {0.663052530642 0.231147812032 0.328448593119} H3 10 1
1 {} {0.710596938589 0.281629630278 0.56429850074} H4 11 1
1 {} {0.156873246768 0.552804634465 0.658312164787} H5 12 1
1 {} {0.366755702151 0.569360028061 0.787129182813} H6 13 1
1 {} {0.312014722786 0.913235305023 0.474206160035} H7 14 1
1 {} {0.472286175342 0.652806086556 0.314565964061} H8 15 1
1 {} {0.597642796338 0.687643454641 0.52595967899} H10 16 1
8 {} {0.370491877761 0.571870200276 0.529697011547} O 17 1
1 {} {0.273085304586 0.849488901639 0.473528465421} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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