./iterations/neb0_image07_iter233.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.47556125446 0.224057545715 0.498038769913} O1 1 1
14 {} {0.335786142664 0.214108007013 0.583042559808} Si1 2 1
14 {} {0.615845799924 0.297836143175 0.454287533782} Si2 3 1
8 {} {0.593263324704 0.457573692089 0.427222084616} O2 4 1
8 {} {0.311121798574 0.349597055219 0.672986715414} O3 5 1
14 {} {0.291530108058 0.51092617638 0.647464997232} Si3 6 1
14 {} {0.49673975937 0.59014229763 0.431938713041} Si4 7 1
1 {} {0.342096579016 0.100028285526 0.676603209222} H1 8 1
1 {} {0.223851402151 0.198042424909 0.486263474079} H2 9 1
1 {} {0.658800907525 0.233126058577 0.328402886686} H3 10 1
1 {} {0.717087226688 0.285675259004 0.562277367758} H4 11 1
1 {} {0.147278093076 0.548578557469 0.646632869124} H5 12 1
1 {} {0.365748994074 0.579067700517 0.757182703654} H6 13 1
1 {} {0.340293020231 0.926969001403 0.504150705907} H7 14 1
1 {} {0.47029993305 0.634585990185 0.292729353631} H8 15 1
1 {} {0.561705616901 0.694645693687 0.515166614727} H10 16 1
8 {} {0.352030183622 0.554758238542 0.499767268701} O 17 1
1 {} {0.311045731204 0.872799700703 0.546899920383} 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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14 6 0 0
16 5 0 2
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4 1 0 0
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7 1 0 0
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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
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5 4 1 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end