iterations/neb0_image01_iter63.sci output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)

Status: terminated
#MD System 2.0

@Title neb0_image01

@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
6 {} {0.202857311274 0.529169493727 0.304941099055} C1 1 1
14 {} {0.25648389768 0.49142968876 0.263173682326} Si1 2 1
14 {} {0.155939082634 0.537534503197 0.224451875347} Si2 3 1
8 {} {0.268790885119 0.52337134867 0.164496811932} O1 4 1
8 {} {0.296856607286 0.511727415107 0.333275688145} O2 5 1
6 {} {0.254210131284 0.398304652777 0.257071011059} C2 6 1
6 {} {0.12406383852 0.458116973573 0.207050048477} C3 7 1
8 {} {0.180015334058 0.563190153585 0.129767098885} O3 8 1
8 {} {0.120910458461 0.598502229403 0.253228080877} O4 9 1
14 {} {0.348122284983 0.541344667783 0.33971623866} Si3 10 1
7 {} {0.383012828963 0.478858247545 0.382121155553} N1 11 1
14 {} {0.437353882958 0.476700333189 0.341098514848} Si4 12 1
14 {} {0.362468172815 0.424207273992 0.464216080674} Si5 13 1
7 {} {0.332840727743 0.461470137402 0.549449817062} N2 14 1
7 {} {0.459832014349 0.556058496627 0.347749474131} N3 15 1
1 {} {0.191051781329 0.50116528565 0.363745999048} H1 16 1
1 {} {0.210702526933 0.580130598877 0.328515414743} H2 17 1
1 {} {0.243534046877 0.545062610657 0.134730834947} H3 18 1
1 {} {0.248918722297 0.37530181549 0.322860128052} H4 19 1
1 {} {0.285870256767 0.379026503825 0.230372725026} H5 20 1
1 {} {0.227416985815 0.381448533321 0.21226592597} H6 21 1
1 {} {0.097645324142 0.46480793882 0.156885381242} H7 22 1
1 {} {0.108309799959 0.44078984581 0.269238992371} H8 23 1
1 {} {0.146102672628 0.417839566311 0.183496371114} H9 24 1
1 {} {0.161453544776 0.586988323144 0.0871874916575} H10 25 1
1 {} {0.0922104192752 0.585447897766 0.278201821095} H11 26 1
1 {} {0.364800596982 0.561817071261 0.250404267581} H12 27 1
1 {} {0.346397225205 0.60001837221 0.400924125939} H13 28 1
1 {} {0.461033838772 0.42358981907 0.392976686831} H14 29 1
1 {} {0.439167940126 0.459655887993 0.2443222067} H15 30 1
1 {} {0.331140978884 0.375148382991 0.423217484945} H16 31 1
1 {} {0.401897140469 0.389871795727 0.503321743466} H17 32 1
1 {} {0.301256922757 0.477503830474 0.537779439597} H18 33 1
1 {} {0.348468147066 0.492700474182 0.593185780971} H19 34 1
1 {} {0.482456430429 0.571288797815 0.300931204038} H20 35 1
1 {} {0.465672782776 0.578585181999 0.40698275238} H21 36 1
6 {} {0.657744678516 0.637529432379 0.507164608267} C4 37 1
14 {} {0.618335745191 0.573130894541 0.460207941568} Si6 38 1
14 {} {0.655472143102 0.72413059478 0.461673090598} Si7 39 1
8 {} {0.615926618606 0.580946831502 0.350433287169} O5 40 1
8 {} {0.638586045935 0.498658485551 0.484729815904} O6 41 1
6 {} {0.561004217988 0.578768839511 0.509023219387} C5 42 1
6 {} {0.607599460967 0.774298539094 0.506022484326} C6 43 1
8 {} {0.652516078791 0.712280037111 0.351221474717} O7 44 1
8 {} {0.702571846621 0.76661817878 0.477508941846} O8 45 1
14 {} {0.648742849013 0.420659706088 0.456512499061} Si8 46 1
7 {} {0.603200035389 0.36853583382 0.473876899045} N4 47 1
14 {} {0.583427265374 0.319578547648 0.385241735304} Si9 48 1
14 {} {0.578509937509 0.363980781918 0.580190087348} Si10 49 1
7 {} {0.613331998149 0.383314550402 0.667451180841} N5 50 1
7 {} {0.618148866508 0.256651051161 0.347288713427} N6 51 1
1 {} {0.654013170307 0.639143360289 0.58033469724} H22 52 1
1 {} {0.691827857134 0.619065026008 0.493916438225} H23 53 1
1 {} {0.628371727014 0.62297610816 0.32803975206} H24 54 1
1 {} {0.560745690957 0.569433898555 0.581311568688} H25 55 1
1 {} {0.539108720111 0.54143425202 0.477540635283} H26 56 1
1 {} {0.546322054681 0.628447334887 0.49730642163} H27 57 1
1 {} {0.606717005529 0.824870671023 0.477163865549} H28 58 1
1 {} {0.610116204906 0.779654223349 0.578940397437} H29 59 1
1 {} {0.575386382677 0.750248015586 0.491856080081} H30 60 1
1 {} {0.65985493259 0.749947533294 0.313246807961} H31 61 1
1 {} {0.702959047452 0.800525885633 0.523397193956} H32 62 1
1 {} {0.66025969023 0.415594713378 0.359779505174} H33 63 1
1 {} {0.687794871071 0.399711858628 0.511295546359} H34 64 1
1 {} {0.541595619257 0.288040864912 0.418209363198} H35 65 1
1 {} {0.575381673379 0.362420073827 0.305528350321} H36 66 1
1 {} {0.54065989715 0.412294124441 0.586800905948} H37 67 1
1 {} {0.562050457058 0.294045057454 0.591426228156} H38 68 1
1 {} {0.619870865148 0.432296049195 0.681254492209} H39 69 1
1 {} {0.640592021632 0.354771832197 0.680697304816} H40 70 1
1 {} {0.64237290275 0.26723365464 0.302363885321} H41 71 1
1 {} {0.627293749773 0.217892168221 0.387499417513} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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@end
@Columns Subset
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	Type	string	atom
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@end
@data
@end