iterations/neb0_image09_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471762507115 0.213181803591 0.494429257492} O1 1 1
14 {} {0.33594882398 0.216773782502 0.586708264306} Si1 2 1
14 {} {0.602656670308 0.29865752575 0.444950011854} Si2 3 1
8 {} {0.55888518132 0.451139522413 0.401858456595} O2 4 1
8 {} {0.329442059956 0.355258889167 0.674116659159} O3 5 1
14 {} {0.295959530823 0.516225882119 0.669401439141} Si3 6 1
14 {} {0.506794072673 0.599020525036 0.450966351353} Si4 7 1
1 {} {0.341564467894 0.104360034771 0.682887013283} H1 8 1
1 {} {0.217981603835 0.20846730898 0.496504123239} H2 9 1
1 {} {0.658422829967 0.230405295326 0.325892215287} H3 10 1
1 {} {0.702519869174 0.308117005671 0.554903534145} H4 11 1
1 {} {0.149373312874 0.536756304322 0.658880650853} H5 12 1
1 {} {0.348227169473 0.575236381095 0.795170173709} H6 13 1
1 {} {0.323159014732 0.878250684592 0.413655179818} H7 14 1
1 {} {0.481273164839 0.675583208291 0.326022819912} H8 15 1
1 {} {0.610469557138 0.665464396276 0.536496709538} H10 16 1
8 {} {0.368194548715 0.585984095351 0.537118339201} O 17 1
1 {} {0.307451778168 0.853635299154 0.481096797959} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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