iterations/neb0_image06_iter246.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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@data
8 {} {0.474426169348 0.234012894138 0.492515814298} O1 1 1
14 {} {0.327725228355 0.217659475412 0.564373364674} Si1 2 1
14 {} {0.607181478325 0.325382665038 0.463765939526} Si2 3 1
8 {} {0.579709189799 0.48434560658 0.491466612026} O2 4 1
8 {} {0.284450572564 0.351679377569 0.647774763764} O3 5 1
14 {} {0.283274596349 0.515324416987 0.650349803004} Si3 6 1
14 {} {0.490209607479 0.615169913958 0.449162317222} Si4 7 1
1 {} {0.335867155412 0.108904994877 0.662894235467} H1 8 1
1 {} {0.227971619383 0.18647338214 0.459526834229} H2 9 1
1 {} {0.64825301739 0.312002203527 0.321668813913} H3 10 1
1 {} {0.713906043409 0.2855430489 0.558418105756} H4 11 1
1 {} {0.146337951246 0.546558873393 0.702198798673} H5 12 1
1 {} {0.384151684172 0.573174609953 0.742523901187} H6 13 1
1 {} {0.388607646386 0.810362256173 0.522975099985} H7 14 1
1 {} {0.474347119696 0.637383355773 0.303551962249} H8 15 1
1 {} {0.592065502476 0.7182582636 0.491007239356} H10 16 1
8 {} {0.328508794001 0.578255488654 0.50303592407} O 17 1
1 {} {0.323092594961 0.772027158933 0.503848667937} H14 18 1
@end
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	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
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	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
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@data
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14 6 0 0
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10 2 0 0
9 2 0 0
@end
@Columns Bond
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	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
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@data
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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end