iterations/neb0_image05_iter65.sci output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
#MD System 2.0
@Title neb0_image05
@Columns AsymmetricAtom
AtomicNumber int 0
Connections string {{}}
Fractional double {{0.0 0.0 0.0}}
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Name string {{}}
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@end
@data
14 {} {0.125458641034 0.129440611595 0.386015121216} 7 Si1 1 0.0 1
14 {} {0.371127791034 0.123339161595 0.307150861216} 7 Si2 2 0.0 1
14 {} {0.301265236139 0.0872892925204 0.608552760908} 0 Si3 3 0.0 1
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8 {} {0.896803879234 0.231980209895 0.6587857057} 0 O16 23 0.0 1
14 {} {0.126263951034 0.630565071595 0.381973251216} 7 Si8 24 0.0 1
14 {} {0.377020631034 0.623635061595 0.306661371216} 7 Si9 25 0.0 1
14 {} {0.332569276265 0.591767080477 0.616841293169} 0 Si10 26 0.0 1
14 {} {0.110924511034 0.895398761595 0.146582621216} 7 Si11 27 0.0 1
14 {} {0.0856958010337 0.875370291595 0.463563251216} 7 Si12 28 0.0 1
14 {} {0.357028541034 0.871129811595 0.228494141216} 7 Si13 29 0.0 1
14 {} {0.344110503593 0.838326194497 0.538854654613} 0 Si14 30 0.0 1
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14 {} {0.622203931034 0.172576021595 0.386729051216} 7 Si15 46 0.0 1
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14 {} {0.964296021928 0.388429723394 0.651003197037} 0 Si29 100 0.0 1
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