iterations/neb0_image03_iter130.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.465141385182 0.244242736324 0.487687716434} O1 1 1
14 {} {0.328038260761 0.234958505942 0.576926153743} Si1 2 1
14 {} {0.586085060124 0.340892215799 0.433082038821} Si2 3 1
8 {} {0.526328083888 0.484803868507 0.383449242419} O2 4 1
8 {} {0.318535326003 0.35801323662 0.685402978114} O3 5 1
14 {} {0.268741818217 0.510636359034 0.717386774938} Si3 6 1
14 {} {0.541922280161 0.649035949908 0.376913761618} Si4 7 1
1 {} {0.331889019052 0.107798756879 0.653541364611} H1 8 1
1 {} {0.20962183813 0.239752785817 0.486930927992} H2 9 1
1 {} {0.648146068016 0.27006115545 0.317809338756} H3 10 1
1 {} {0.682821352463 0.365147523604 0.544181180596} H4 11 1
1 {} {0.119723038248 0.515985143096 0.723500844678} H5 12 1
1 {} {0.329553859547 0.550987689804 0.847282660937} H6 13 1
1 {} {0.410852092176 0.712877494679 0.34732877497} H7 14 1
1 {} {0.637051340669 0.680313118483 0.265905161845} H8 15 1
1 {} {0.597680430219 0.703782750085 0.504719181745} H10 16 1
8 {} {0.323595079712 0.607436891415 0.592874089501} O 17 1
1 {} {0.284359816117 0.695791829081 0.586135711242} 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