iterations/neb0_image03_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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0.2596316799999983 0.3981010999999981 0.2651943199999991
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0.1029283900000024 0.4632273599999976 0.1652272400000001
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0.1518530199999972 0.4172102599999974 0.1916767800000017
0.1669954199999992 0.5856424400000009 0.0955990599999978
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0.3694538399999985 0.5604251800000029 0.2585093400000034
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0.3066891499999969 0.4776387699999987 0.5471768700000013
0.3542923199999990 0.4915590299999977 0.6020998300000002
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0.4699015099999997 0.5778790600000008 0.4147285900000028
0.6483914499999983 0.6391284899999974 0.5717270000000028
0.6865780299999997 0.6188539300000002 0.4861874400000019
0.6230477300000032 0.6243916199999973 0.3192408600000007
0.5561047400000021 0.5699958599999988 0.5721629800000017
0.5341353399999988 0.5428837500000014 0.4682225900000034
0.5415354200000024 0.6298218599999998 0.4890105100000000
0.6018080300000008 0.8251164200000005 0.4690993399999996
0.6046185800000003 0.7802215099999970 0.5714809999999986
0.5705038700000031 0.7505483799999979 0.4833244200000024
0.6538880100000029 0.7508928399999988 0.3053055800000024
0.6981144599999993 0.8006347099999971 0.5140493000000035
0.6548739999999995 0.4160876500000015 0.3503820600000012
0.6825390300000009 0.4007633499999983 0.5019675400000025
0.5366684600000013 0.2877630199999999 0.4095791499999990
0.5702633000000006 0.3626006599999982 0.2971321599999968
0.5361342799999989 0.4150005400000012 0.5780243399999989
0.5561502700000034 0.2961666799999989 0.5834867499999987
0.6151100000000014 0.4330084300000010 0.6736222099999978
0.6355690199999984 0.3553025900000009 0.6718381000000022
0.6380552999999978 0.2681044899999989 0.2951636100000030
0.6229876800000014 0.2192685999999995 0.3806156799999982
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