./iterations/neb0_image07_iter157.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 {} {0.471283386292 0.241603405551 0.491873830575} O1 1 1
14 {} {0.3320886655 0.222018221153 0.577765923744} Si1 2 1
14 {} {0.61592341045 0.307038091088 0.451441763104} Si2 3 1
8 {} {0.599879697026 0.467314238994 0.419337017944} O2 4 1
8 {} {0.307209680359 0.348057964631 0.681447918185} O3 5 1
14 {} {0.291345984779 0.510904792806 0.656715620319} Si3 6 1
14 {} {0.495929466863 0.595129876308 0.440014006489} Si4 7 1
1 {} {0.340969083133 0.100150006369 0.661118777973} H1 8 1
1 {} {0.221309443658 0.2146977119 0.478993459378} H2 9 1
1 {} {0.664185274599 0.235157632778 0.32997791936} H3 10 1
1 {} {0.712575615978 0.281751300078 0.563675498313} H4 11 1
1 {} {0.146031182711 0.548520791128 0.658284203697} H5 12 1
1 {} {0.370761918235 0.587091943124 0.758822992606} H6 13 1
1 {} {0.349277175288 0.889248941259 0.489513864026} H7 14 1
1 {} {0.45077084362 0.656987660251 0.312291429364} H8 15 1
1 {} {0.567986180836 0.690837160855 0.527039483044} H10 16 1
8 {} {0.354125462993 0.546001041977 0.508423113596} O 17 1
1 {} {0.318433518264 0.830007039707 0.524321021834} 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