iterations/neb0_image01_iter27_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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0.2544609300000005 0.3989710099999968 0.2568563399999988
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0.1558282599999998 0.5376532699999998 0.2246602999999965
0.3479183299999988 0.5413579000000013 0.3398771199999970
0.4371096799999989 0.4769284600000034 0.3407325499999985
0.3622889099999966 0.4242859000000010 0.4643214800000024
0.6182070999999993 0.5728201100000021 0.4591787700000012
0.6553202600000034 0.7233430699999985 0.4621002200000035
0.6485494000000003 0.4202282899999972 0.4555835700000017
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0.2435092999999995 0.5454453600000022 0.1352051100000011
0.2493038799999994 0.3759560399999984 0.3226860600000023
0.2861854699999995 0.3799365699999981 0.2300964499999978
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0.0977436699999998 0.4642051499999980 0.1568625399999988
0.1087131600000006 0.4402741899999967 0.2691166700000025
0.1466453700000017 0.4181363100000013 0.1833126599999986
0.1618077299999996 0.5866239400000026 0.0872027099999997
0.0920962799999998 0.5863863699999996 0.2777116299999989
0.3643264700000017 0.5614350099999967 0.2500061799999997
0.3467572599999968 0.6002449799999994 0.4009556999999973
0.4610820099999984 0.4244082900000024 0.3932426399999969
0.4391858799999966 0.4595877499999972 0.2439227200000005
0.3308196899999984 0.3751472900000010 0.4240010199999986
0.4017547300000004 0.3900182200000017 0.5035658299999994
0.3014964300000003 0.4785107800000006 0.5387233699999996
0.3490912299999991 0.4925028800000035 0.5936839399999982
0.4819601800000015 0.5715768999999966 0.3008574099999990
0.4649698799999982 0.5788318500000003 0.4068518799999978
0.6535881100000012 0.6382236800000030 0.5801083799999986
0.6917580100000009 0.6179899899999981 0.4945139299999965
0.6282212500000028 0.6234241599999990 0.3276093500000030
0.5611569200000019 0.5690232899999970 0.5804185499999974
0.5389838099999977 0.5419601600000021 0.4764855999999966
0.5466031899999990 0.6288550299999969 0.4973497100000017
0.6069769400000027 0.8242087900000001 0.4774901799999967
0.6098091799999992 0.7792966900000025 0.5798063000000013
0.5756531899999970 0.7496320500000024 0.4917385199999984
0.6591164900000024 0.7499483699999985 0.3136818300000002
0.7032683300000002 0.7997543600000014 0.5225063700000021
0.6600487099999981 0.4151379199999994 0.3588309900000013
0.6877136499999992 0.3997738999999996 0.5103814599999978
0.5418139000000011 0.2868587000000034 0.4179618399999967
0.5754406699999990 0.3616585600000022 0.3055056399999998
0.5412533000000010 0.4139381600000007 0.5863360000000029
0.5613503499999979 0.2951646400000030 0.5917596500000002
0.6202540099999965 0.4320366600000014 0.6819055699999979
0.6407131500000034 0.3543839900000023 0.6802008200000031
0.6431917099999964 0.2671616800000010 0.3034561400000015
0.6281291299999978 0.2182609099999979 0.3889284099999983
0.00000000E+00 0.00000000E+00 0.00000000E+00
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