iterations/neb0_image04_iter71_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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0.2595630699999987 0.4007352599999976 0.2597705499999989
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0.3581254099999995 0.4895852800000000 0.6003549799999988
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0.6414265399999977 0.6354440799999992 0.5754568899999981
0.6694235900000010 0.6019123700000009 0.4837373299999967
0.6301475200000013 0.6313619499999987 0.3162040300000015
0.5324245300000001 0.5472854200000015 0.5190335300000015
0.4982489300000026 0.5656426299999993 0.4071645799999999
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0.6028950099999975 0.8224329299999980 0.4727856700000004
0.6040206400000017 0.7774424999999994 0.5790099499999997
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0.5378260600000004 0.4222255299999986 0.5716195999999982
0.5539385499999980 0.2990928600000018 0.5855252300000018
0.6171263600000003 0.4310005000000032 0.6781006200000022
0.6361689900000016 0.3537768200000002 0.6710959999999986
0.6417173199999979 0.2688205700000026 0.3023771699999998
0.6277717099999975 0.2220754299999967 0.3915690099999978
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