iterations/neb0_image07_iter15_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
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0.4969423800000001 0.5683979000000008 0.3263958900000006
0.4771034899999975 0.5763020400000016 0.4274295900000027
0.6378620300000009 0.6410191800000007 0.5545478599999996
0.6762251500000005 0.6208367600000031 0.4691576999999967
0.6124778399999968 0.6262410799999998 0.3023080800000031
0.5462633200000013 0.5722585199999983 0.5575728100000035
0.5276491500000020 0.5438670899999991 0.4547217799999999
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0.5913036500000004 0.8270401600000028 0.4520773400000024
0.5941106399999967 0.7821457599999988 0.5544408399999980
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0.6876063699999975 0.8025813900000003 0.4970327200000000
0.6443552300000022 0.4180420499999968 0.3333549899999966
0.6720116099999984 0.4027596099999968 0.4849076699999983
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0.5456153399999977 0.2980932700000025 0.5665246000000010
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0.6251102399999979 0.3571885699999982 0.6548655499999967
0.6275568499999977 0.2700469500000011 0.2781487100000035
0.6124776699999970 0.2211977600000026 0.3635664999999975
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