iterations/neb0_image01_iter17_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
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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0.3618661399999965 0.4509057300000023 0.5680895699999979
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0.4853668000000013 0.5720535600000005 0.4103992499999976
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0.4545458999999994 0.5102411200000034 0.4685967799999986
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0.2192013000000017 0.5561612099999991 0.6333363099999971
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0.1936595700000012 0.3848517099999995 0.3752049900000003
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0.5732812600000017 0.3545387500000032 0.2642889500000010
0.6280292499999973 0.3279011500000024 0.2906475599999965
0.6150026099999977 0.2601345699999982 0.4777428800000010
0.5095225800000023 0.3980623500000036 0.4192831200000029
0.5274314600000025 0.3865062799999990 0.5313620200000031
0.5118687100000017 0.3161611299999976 0.4661736999999988
0.5065361699999968 0.1699417100000034 0.2640831499999976
0.5065858700000021 0.2472179399999987 0.2053583399999965
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0.5932705099999964 0.1926924999999997 0.1537302400000016
0.6763135799999986 0.4474276700000033 0.5415239700000001
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0.6177697299999991 0.6469955499999998 0.6049468399999967
0.6289203299999997 0.5319375699999966 0.6600197100000003
0.5650845099999984 0.6101205399999969 0.4166147800000033
0.6318734099999972 0.6797353700000031 0.4269818900000004
0.6095864799999973 0.5532503800000015 0.2692987699999989
0.6575849700000020 0.5951817999999989 0.2750571300000004
0.7194407699999985 0.5674904299999994 0.6524949599999985
0.7150107699999992 0.6437851000000023 0.6074685000000031
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