iterations/neb0_image08_iter1_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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0.2725317299999972 0.3956884199999990 0.2860476899999966
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0.3195745000000016 0.4752640800000023 0.5680315199999981
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0.4999754099999976 0.5682807000000025 0.3300511200000003
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0.6354910499999988 0.6414924600000020 0.5508730900000032
0.6736914600000006 0.6211271100000033 0.4653373000000016
0.6101717700000009 0.6267526999999973 0.2984136099999972
0.5432189499999964 0.5722807300000028 0.5510371299999974
0.5209574699999990 0.5453102999999970 0.4471137099999964
0.5286174200000033 0.6322298199999992 0.4680735800000022
0.5889423200000010 0.8274786500000033 0.4482728099999989
0.5917529900000034 0.7825643600000021 0.5505752199999989
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0.6852385800000036 0.8029956999999968 0.4932224699999992
0.6419967200000016 0.4184284399999996 0.3295113200000017
0.6696276699999970 0.4031087999999983 0.4810263299999988
0.5237883599999975 0.2900671499999987 0.3887410900000035
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0.5232720799999981 0.4173975100000007 0.5570428799999974
0.5432382999999987 0.2986057199999976 0.5625695199999967
0.6022405100000014 0.4353483699999998 0.6527760700000016
0.6226681400000018 0.3576481200000003 0.6509024900000000
0.6252288100000030 0.2704560499999999 0.2743424499999989
0.6101653200000001 0.2216284400000035 0.3598406199999999
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