iterations/neb0_image09_iter20_CONTCAR output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
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
0.2239568099999971 0.5252520399999980 0.3403609000000003
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0.3705662200000006 0.4885402299999981 0.6285962099999978
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0.4710087899999991 0.5767250399999995 0.4252414899999977
0.6321818099999987 0.6418550499999967 0.5445318599999993
0.6723068200000029 0.6227278599999977 0.4600235899999987
0.6061491500000002 0.6267010999999982 0.2933641099999988
0.5435496300000011 0.5757387299999976 0.5575944300000018
0.5331278499999996 0.5414870099999973 0.4547795300000033
0.5280090099999981 0.6306641799999966 0.4658276500000014
0.5855683899999988 0.8280192699999986 0.4426943899999998
0.5883399499999982 0.7832012399999968 0.5450383299999970
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0.6375505399999994 0.7537564100000012 0.2789684700000024
0.6818268600000010 0.8037823299999971 0.4877193199999965
0.6385699499999973 0.4190798999999998 0.3239641400000011
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0.5204535800000016 0.2906759299999990 0.3832211499999971
0.5540030800000011 0.3655378999999996 0.2710606799999979
0.5202224000000015 0.4180368000000030 0.5532054399999993
0.5398146699999984 0.2990999800000012 0.5571252499999986
0.5987963099999973 0.4357668399999994 0.6473432700000004
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0.6067080099999984 0.2220959899999997 0.3541967800000023
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