iterations/neb0_image03_iter59_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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0.6879666199999974 0.6207098300000027 0.4858455500000005
0.6222520299999985 0.6238002999999992 0.3192318299999997
0.5579554500000015 0.5721144299999992 0.5773086299999974
0.5370387700000023 0.5404025300000015 0.4743285999999998
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0.6015806300000008 0.8256264999999985 0.4684213900000032
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0.5563923899999992 0.2953318699999983 0.5839342499999987
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0.6359490399999999 0.3548249700000028 0.6724221999999997
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0.6216269000000025 0.2186944899999972 0.3777751599999988
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