iterations/neb0_image06_iter32.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 {} {0.46872771424 0.226286123816 0.48178697948} O1 1 1
14 {} {0.332182384184 0.232475306522 0.571953500637} Si1 2 1
14 {} {0.596780590705 0.32011690083 0.438759709569} Si2 3 1
8 {} {0.542457667509 0.46896394685 0.39789913308} O2 4 1
8 {} {0.332363386428 0.366874624582 0.66630652727} O3 5 1
14 {} {0.291102671736 0.522437016056 0.684182891294} Si3 6 1
14 {} {0.49620773162 0.622134201726 0.443643592634} Si4 7 1
1 {} {0.329327830527 0.112314813685 0.658942918589} H1 8 1
1 {} {0.216000019678 0.235398092598 0.47897988044} H2 9 1
1 {} {0.665019423882 0.24617727212 0.3280942074} H3 10 1
1 {} {0.692503392654 0.331553071799 0.55285916368} H4 11 1
1 {} {0.142009332691 0.521436740036 0.701305950519} H5 12 1
1 {} {0.339918242085 0.558485766769 0.81982692363} H6 13 1
1 {} {0.35357516412 0.79304158078 0.420658136759} H7 14 1
1 {} {0.522669088618 0.683004481431 0.304514305194} H8 15 1
1 {} {0.593159981518 0.682997598743 0.53671428491} H10 16 1
8 {} {0.361509534026 0.601527595427 0.557634523959} O 17 1
1 {} {0.334571984009 0.747292817507 0.486995356152} 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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	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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9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	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
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	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