iterations/neb0_image08_iter259.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472606601392 0.22189567565 0.493658918357} O1 1 1
14 {} {0.33166330287 0.217371981224 0.577265644939} Si1 2 1
14 {} {0.613560050417 0.295139062718 0.452501385623} Si2 3 1
8 {} {0.589802969532 0.454938520543 0.423668452943} O2 4 1
8 {} {0.315228947455 0.350970287229 0.67192545137} O3 5 1
14 {} {0.299456054668 0.514459689227 0.665394877781} Si3 6 1
14 {} {0.509782859843 0.596498622161 0.446341901268} Si4 7 1
1 {} {0.333468244825 0.0988222905395 0.666582532572} H1 8 1
1 {} {0.220554352883 0.211317564948 0.478456487092} H2 9 1
1 {} {0.663346071443 0.231682966502 0.327740536043} H3 10 1
1 {} {0.710823825492 0.28105120315 0.564691666397} H4 11 1
1 {} {0.15580982617 0.552384579949 0.658355208971} H5 12 1
1 {} {0.367207846025 0.57027667594 0.785914835753} H6 13 1
1 {} {0.313059772968 0.91412595592 0.474634162765} H7 14 1
1 {} {0.472566505645 0.652633124189 0.313833505507} H8 15 1
1 {} {0.597288317696 0.687862452422 0.525465154606} H10 16 1
8 {} {0.36929851671 0.571882469938 0.528198607016} O 17 1
1 {} {0.274562157635 0.849204758607 0.476428404041} 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
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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
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
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4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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