iterations/neb0_image04_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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0.3559059500000004 0.5402184100000014 0.3536385900000028
0.4432068599999965 0.4740505700000028 0.3483827100000028
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0.6440228000000019 0.7138804300000032 0.3373233000000013
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0.1063536899999988 0.4630953599999970 0.1708179199999975
0.1171042000000000 0.4393164800000022 0.2831172899999999
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0.4694848600000014 0.4264549099999968 0.4031112899999982
0.4452517499999971 0.4511404699999986 0.2533377000000030
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0.3096648599999980 0.4764386700000003 0.5522621900000004
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0.4886431700000031 0.5667033900000007 0.3110105000000019
0.4618105999999997 0.5802287599999971 0.4061905000000010
0.6470443999999986 0.6407669499999997 0.5660416999999995
0.6868336400000032 0.6228622400000035 0.4814586500000004
0.6183745499999986 0.6237807500000017 0.3148827099999991
0.5581496200000018 0.5752312700000033 0.5783816900000005
0.5381677600000003 0.5385782099999972 0.4771102999999997
0.5401301400000023 0.6274367799999965 0.4886922800000022
0.5984983700000015 0.8261605900000006 0.4629930799999968
0.6015864700000009 0.7813289099999992 0.5649068399999990
0.5670304900000005 0.7518560099999974 0.4775569500000003
0.6507841900000031 0.7515055799999999 0.2986524200000034
0.6947711500000011 0.8027035900000001 0.5094988099999966
0.6517855800000021 0.4168564599999982 0.3455727300000007
0.6796118800000031 0.4007246600000016 0.4975217400000034
0.5332445000000021 0.2890913499999996 0.4040127800000022
0.5668475000000015 0.3639064400000009 0.2913484400000002
0.5325059600000017 0.4141953600000008 0.5740126800000027
0.5535004400000005 0.2960782899999970 0.5778212600000003
0.6115878399999986 0.4339308699999975 0.6676822700000002
0.6324220699999969 0.3562142399999999 0.6668991399999982
0.6341642300000032 0.2686330100000021 0.2883775900000032
0.6187415899999991 0.2193916900000019 0.3731445600000001
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