iterations/neb0_image01_iter57_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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0.2542568499999973 0.3984944600000020 0.2570688400000023
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0.1461970599999987 0.4179062199999990 0.1834648399999992
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0.3012494600000011 0.4777581900000030 0.5379463499999986
0.3485505900000021 0.4926439899999977 0.5932233999999994
0.4822441499999996 0.5713094400000003 0.3012160999999978
0.4655865399999968 0.5787600800000021 0.4070749099999986
0.6539280200000022 0.6389203299999977 0.5802677799999998
0.6918220599999998 0.6189606699999999 0.4939988000000000
0.6283208199999990 0.6231086499999989 0.3278626399999993
0.5607209499999968 0.5693729300000001 0.5812142099999988
0.5390170100000020 0.5415431699999971 0.4773820099999995
0.5463199799999998 0.6285263700000030 0.4973625399999975
0.6067722700000004 0.8246993699999976 0.4772976499999970
0.6100302099999979 0.7795970499999996 0.5791237899999970
0.5754483400000012 0.7501753299999976 0.4919275999999968
0.6597112999999979 0.7500115300000019 0.3132655900000003
0.7030303800000013 0.8004794499999974 0.5233016500000005
0.6601929899999988 0.4154681699999969 0.3595929600000005
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0.5415859800000007 0.2877717799999999 0.4181679799999998
0.5753840699999984 0.3621671200000023 0.3056006400000015
0.5407838699999985 0.4126096399999994 0.5867332099999985
0.5619077400000023 0.2942758200000029 0.5914526999999978
0.6199257999999972 0.4321477399999978 0.6812884599999975
0.6406362999999970 0.3546829699999989 0.6806219200000001
0.6425405000000026 0.2672522700000002 0.3025221899999977
0.6274347399999982 0.2180398200000013 0.3876331399999984
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