./iterations/neb0_image08_iter41_CONTCAR output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.5392790900000008 0.6447814400000027 0.3799417299999988
0.6191743199999991 0.4892955799999967 0.5092969399999987
0.5608901499999988 0.4822044499999976 0.5216963499999991
0.5882199799999981 0.5568252999999999 0.5543053499999999
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0.5227481599999990 0.4223243699999983 0.2214771499999983
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0.6917042999999978 0.4071904199999992 0.2965988099999990
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