iterations/neb0_image06_iter292.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.465302525853 0.268912972775 0.488277527601} O1 1 1
14 {} {0.320586808608 0.229267192426 0.554165164217} Si1 2 1
14 {} {0.607832377069 0.348857058755 0.477166065802} Si2 3 1
8 {} {0.591187451268 0.496833455694 0.549191268073} O2 4 1
8 {} {0.236032424905 0.352412869279 0.629054733216} O3 5 1
14 {} {0.26778540112 0.51042514343 0.663035719541} Si3 6 1
14 {} {0.495911200563 0.610466844541 0.473296037096} Si4 7 1
1 {} {0.344167588708 0.133374452495 0.66439686658} H1 8 1
1 {} {0.239943618709 0.171473999883 0.443619132599} H2 9 1
1 {} {0.634045351293 0.375555267443 0.333539325881} H3 10 1
1 {} {0.716919798382 0.274669161988 0.545336447297} H4 11 1
1 {} {0.144064363703 0.57513510517 0.716332457925} H5 12 1
1 {} {0.377444478806 0.532366880648 0.759169773029} H6 13 1
1 {} {0.414259956522 0.770296924198 0.470772994382} H7 14 1
1 {} {0.472795084391 0.594372048899 0.328820468842} H8 15 1
1 {} {0.59998644328 0.721593537741 0.468543737118} H10 16 1
8 {} {0.33346897968 0.573293853471 0.525978130337} O 17 1
1 {} {0.348352297602 0.733211501316 0.440362596096} 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