iterations/neb0_image04_iter9_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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0.4722221500000003 0.5773995200000002 0.4184229099999968
0.6457954400000006 0.6395982900000021 0.5674874500000016
0.6839890199999985 0.6193303800000010 0.4819774699999968
0.6204451799999973 0.6248642600000025 0.3150368900000018
0.5535774499999988 0.5705129700000029 0.5681926500000003
0.5319627599999990 0.5432886999999980 0.4643729200000024
0.5390078599999981 0.6302839299999974 0.4848680500000029
0.5992136400000021 0.8256179500000016 0.4648747099999966
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0.5678973200000001 0.7510300599999979 0.4791027600000035
0.6512854699999977 0.7513531499999999 0.3011141300000020
0.6955236599999992 0.8011070399999980 0.5098357199999981
0.6522800099999984 0.4165757299999981 0.3461613200000002
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0.5340855299999987 0.2882220899999979 0.4053291999999971
0.5676668699999965 0.3630653399999986 0.2928906400000031
0.5335219099999975 0.4154854399999977 0.5737637599999985
0.5535394400000015 0.2966347200000001 0.5792017400000020
0.6125216399999971 0.4334736799999988 0.6693832300000011
0.6329735500000027 0.3557784999999996 0.6676010300000002
0.6354843700000004 0.2685808600000001 0.2909191099999973
0.6204005199999969 0.2197201199999981 0.3764320599999991
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