./iterations/neb0_image05_iter231.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474082008877 0.253470640429 0.492246603309} O1 1 1
14 {} {0.326126782791 0.228961188515 0.559363194153} Si1 2 1
14 {} {0.606505142045 0.347142731942 0.470577814106} Si2 3 1
8 {} {0.573142818945 0.503482679618 0.511026206402} O2 4 1
8 {} {0.270437890018 0.36559864328 0.631247781064} O3 5 1
14 {} {0.235680326636 0.523269988864 0.660035294339} Si3 6 1
14 {} {0.573018657184 0.657694786103 0.450482335849} Si4 7 1
1 {} {0.337755669766 0.12244401044 0.661787639385} H1 8 1
1 {} {0.230978846345 0.182153460401 0.454450546378} H2 9 1
1 {} {0.646862314843 0.33893112099 0.327004537105} H3 10 1
1 {} {0.713096074112 0.29391195802 0.559921747519} H4 11 1
1 {} {0.136909581133 0.526101257646 0.771693776189} H5 12 1
1 {} {0.363936517645 0.593587419512 0.688680434727} H6 13 1
1 {} {0.501926669494 0.743416349566 0.55156026351} H7 14 1
1 {} {0.493381861821 0.654710475233 0.321237367063} H8 15 1
1 {} {0.713168367433 0.708124153804 0.425379161075} H10 16 1
8 {} {0.16962646636 0.60380666808 0.529664218046} O 17 1
1 {} {0.243450014059 0.625710518453 0.46469927819} 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