iterations/neb0_image04_iter45_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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0.1641179399999970 0.5360922599999967 0.2376885299999998
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0.4435823600000006 0.4744236399999977 0.3503709299999969
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0.1167825799999989 0.4390451399999975 0.2825320500000004
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0.4691765600000011 0.4244869500000021 0.4049763000000013
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0.3568977099999984 0.4911466699999991 0.6068570199999996
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0.4667860200000007 0.5781522199999998 0.4120187199999990
0.6459165799999980 0.6397864500000026 0.5665371300000004
0.6849280300000018 0.6207577200000003 0.4813725799999986
0.6195811300000003 0.6243425700000031 0.3146339299999994
0.5552779599999980 0.5727311699999973 0.5741610299999991
0.5370014800000007 0.5407435500000020 0.4700406899999976
0.5398408100000012 0.6292546600000009 0.4866372999999982
0.5988191599999979 0.8259819199999967 0.4639230900000015
0.6016853499999968 0.7810684600000002 0.5663316500000022
0.5674061499999965 0.7515670700000001 0.4784884099999971
0.6510240599999975 0.7514206999999971 0.2999690600000022
0.6951456199999981 0.8016162300000005 0.5093679800000004
0.6519491900000034 0.4169006500000023 0.3459502299999997
0.6798252500000004 0.4013220799999999 0.4977394000000004
0.5337220299999998 0.2886709200000013 0.4044629400000019
0.5672046099999974 0.3633027999999996 0.2921177999999998
0.5329091700000035 0.4150255599999966 0.5740682500000034
0.5534682400000008 0.2962249600000035 0.5785210399999983
0.6120875699999999 0.4337062099999969 0.6684531900000010
0.6327265400000002 0.3560582900000000 0.6673637999999968
0.6348037400000024 0.2686350999999974 0.2896539400000009
0.6195795599999983 0.2195072600000003 0.3748849500000020
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