iterations/neb0_image01_iter3_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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0.3618732899999983 0.4509286799999970 0.5680785899999989
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0.2249386900000019 0.5104751599999986 0.5553774500000017
0.1692913099999984 0.4274751900000027 0.6786065699999995
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0.2485828699999999 0.3981586900000025 0.3812937300000030
0.1936762899999991 0.3848248500000011 0.3752313299999983
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0.5732790100000003 0.3545268299999975 0.2642950299999995
0.6280241500000017 0.3279017699999969 0.2906527100000034
0.6149959800000033 0.2601196000000030 0.4777637400000003
0.5095369300000030 0.3980202700000035 0.4192851600000012
0.5274458100000032 0.3865040800000017 0.5313702199999994
0.5118754200000026 0.3161209100000022 0.4662304100000014
0.5065100699999974 0.1699582700000022 0.2640437700000007
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0.4954237500000005 0.2459861899999964 0.3214253100000022
0.5946929400000016 0.1466960099999994 0.3843558100000024
0.5932543600000031 0.1926664599999981 0.1537160900000032
0.6763018600000024 0.4474021899999983 0.5415253600000014
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0.6289066399999967 0.5319089500000018 0.6602611499999966
0.5651968399999987 0.6100440800000015 0.4166310999999965
0.6318566699999977 0.6797221599999972 0.4271215999999995
0.6096203900000035 0.5531389000000004 0.2693376300000025
0.6576130699999965 0.5952162999999970 0.2750577999999990
0.7194185399999995 0.5675354899999974 0.6524613200000005
0.7150028599999985 0.6437661200000022 0.6073979499999993
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