iterations/neb0_image04_iter34_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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0.4701057099999986 0.5777018200000015 0.4162918899999966
0.6458359100000024 0.6396647099999981 0.5671241900000012
0.6843913000000015 0.6198745700000003 0.4817426799999964
0.6201096200000009 0.6246571100000011 0.3148893299999997
0.5542718000000022 0.5713940699999966 0.5705060200000034
0.5337678799999992 0.5422574800000035 0.4664488900000023
0.5393298999999985 0.6298867900000005 0.4855753000000007
0.5990704399999984 0.8257530799999984 0.4645291300000025
0.6019014099999964 0.7808420499999968 0.5668778599999982
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0.6521537599999974 0.4166954299999972 0.3461079499999968
0.6798917899999992 0.4012702699999977 0.4977354299999988
0.5339448800000000 0.2883871000000013 0.4050190399999991
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0.5332934799999975 0.4153037100000034 0.5738928999999970
0.5535145999999997 0.2964994399999981 0.5789546500000000
0.6123490299999972 0.4335144699999987 0.6690257599999967
0.6328604099999993 0.3558972000000011 0.6674984899999998
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0.6200943500000022 0.2196427599999993 0.3758264299999965
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