iterations/neb0_image04_iter40_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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0.3898985599999989 0.5885169399999981 0.3123521999999994
0.6477419499999968 0.6425718599999968 0.5528566699999971
0.6972210599999968 0.6411846000000025 0.4727541099999968
0.6073814000000013 0.6171380899999974 0.3086282499999982
0.5784297699999996 0.6035898200000034 0.6592030099999988
0.6124037299999969 0.5056719800000025 0.5533639300000033
0.5517649800000015 0.6144700600000021 0.5112237100000030
0.5929733999999982 0.8313561599999986 0.4498053299999967
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0.5604033700000031 0.7593765700000006 0.4696301000000034
0.6471955199999968 0.7523636000000025 0.2832554800000011
0.6897659300000001 0.8082417199999981 0.5015498200000010
0.6471963600000024 0.4216972899999973 0.3422934499999997
0.6783105399999982 0.4025667900000016 0.4978809400000017
0.5285590800000008 0.2952585499999998 0.3915160099999966
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0.5239834799999983 0.4086137999999977 0.5781367800000012
0.5523893000000015 0.2898239000000018 0.5684478499999983
0.6060006399999978 0.4380071699999988 0.6550983500000029
0.6296148300000013 0.3598056900000017 0.6642517499999983
0.6246962399999987 0.2695448699999972 0.2716228800000025
0.6076183600000036 0.2164227999999966 0.3530155099999988
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