iterations/neb0_image08_iter44_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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0.4231682799999987 0.5867280499999978 0.3739295299999981
0.6355983600000030 0.6427619899999968 0.5421713100000005
0.6834369500000008 0.6303334099999987 0.4631887600000013
0.6026171399999996 0.6247588399999984 0.2952104100000028
0.5613567099999983 0.5911241599999997 0.5961242899999988
0.5677870399999989 0.5254405199999965 0.4983239900000029
0.5356935900000011 0.6201239999999970 0.4807086300000023
0.5852304799999999 0.8277567399999981 0.4414312600000017
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0.5538549999999987 0.7537177700000015 0.4558502200000021
0.6368424200000007 0.7537794899999994 0.2765380700000009
0.6817870900000003 0.8061483999999979 0.4875830800000003
0.6381187200000014 0.4185041900000002 0.3224236499999975
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0.5392972499999971 0.2983214599999968 0.5566612499999977
0.5980833500000031 0.4354367299999993 0.6471697799999987
0.6199601599999980 0.3581000300000028 0.6462127899999999
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0.6057415599999985 0.2216607200000027 0.3517501199999984
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