./iterations/neb0_image07_iter8_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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0.6378187199999985 0.6410274400000020 0.5544863100000015
0.6761281599999975 0.6208362200000010 0.4690873899999985
0.6124770899999987 0.6263273799999993 0.3021997600000006
0.5462098900000001 0.5722411499999964 0.5574879600000031
0.5286027699999991 0.5438912700000031 0.4555539999999993
0.5315823199999983 0.6313351299999965 0.4724860000000035
0.5912612999999993 0.8270480500000019 0.4520112000000012
0.5940716499999965 0.7821524200000027 0.5543906899999982
0.5599460600000015 0.7525019899999990 0.4662323800000010
0.6433222200000017 0.7527887199999981 0.2882625800000014
0.6875703899999976 0.8025715500000032 0.4969494600000033
0.6443257500000001 0.4180610900000019 0.3332751000000016
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0.5597211700000031 0.3645648199999982 0.2801587699999999
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0.6124049499999984 0.2212997199999975 0.3634203599999992
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