iterations/neb0_image01_iter28_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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0.3479196799999968 0.5413555299999970 0.3398764000000014
0.4371128499999983 0.4769301199999987 0.3407370299999997
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0.6182095300000015 0.5728205099999997 0.4591870100000008
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0.1087101099999970 0.4402791899999983 0.2691158700000003
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0.1618061599999976 0.5866267500000006 0.0872016699999989
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0.4610825600000013 0.4243962999999980 0.3932436799999977
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0.3490888600000019 0.4925030899999996 0.5936801900000006
0.4819625900000020 0.5715716300000011 0.3008521000000002
0.4649736799999999 0.5788323299999973 0.4068706400000011
0.6535899499999971 0.6382301699999999 0.5801102799999995
0.6917590500000017 0.6179990600000025 0.4945053100000010
0.6282223799999969 0.6234217800000010 0.3276115800000028
0.5611522299999976 0.5690263299999998 0.5804246200000023
0.5389832299999995 0.5419552099999976 0.4764958100000030
0.5466002799999998 0.6288524200000012 0.4973508699999982
0.6069758200000024 0.8242149399999974 0.4774905599999997
0.6098118499999998 0.7793003000000027 0.5797976599999970
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0.6591219800000019 0.7499485199999967 0.3136796200000020
0.7032651399999992 0.7997623099999984 0.5225157400000029
0.6600499099999979 0.4151416600000033 0.3588411899999997
0.6877137199999979 0.3997739699999983 0.5103863300000029
0.5418117800000033 0.2868668699999972 0.4179638900000029
0.5754397799999964 0.3616641300000012 0.3055031199999974
0.5412502900000007 0.4139231500000022 0.5863390399999986
0.5613557599999979 0.2951595199999986 0.5917549400000013
0.6202497100000031 0.4320366099999973 0.6818976599999971
0.6407121299999972 0.3543849100000003 0.6802032100000019
0.6431871599999965 0.2671624199999982 0.3034450700000022
0.6281229900000014 0.2182592999999997 0.3889135900000014
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