iterations/neb0_image04_iter283.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.468538827934 0.260637168892 0.491218753337} O1 1 1
14 {} {0.325732079529 0.231130150393 0.566176851968} Si1 2 1
14 {} {0.601708172714 0.34704718773 0.449900626702} Si2 3 1
8 {} {0.565148124523 0.505821638743 0.435756399151} O2 4 1
8 {} {0.27973993755 0.352380295751 0.66597371559} O3 5 1
14 {} {0.232675521343 0.505937242823 0.698474825152} Si3 6 1
14 {} {0.589519381295 0.665165665523 0.404556246248} Si4 7 1
1 {} {0.344594420474 0.110331786108 0.651339350966} H1 8 1
1 {} {0.224132034977 0.211647612648 0.459935397572} H2 9 1
1 {} {0.650807189477 0.296452741599 0.318353258506} H3 10 1
1 {} {0.704203573676 0.329658885893 0.557342364512} H4 11 1
1 {} {0.107639422403 0.500538034507 0.780265101424} H5 12 1
1 {} {0.342015641799 0.574650188817 0.77279724174} H6 13 1
1 {} {0.470670790199 0.742156736909 0.450935470434} H7 14 1
1 {} {0.606300249544 0.684024104421 0.257163201358} H8 15 1
1 {} {0.71169030878 0.712013427441 0.477350007993} H10 16 1
8 {} {0.209139868378 0.576164763852 0.550886568447} O 17 1
1 {} {0.175830380905 0.666760110522 0.542632957952} 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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2 0 0 0
14 6 0 0
16 5 0 2
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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