iterations/neb0_image05_iter8_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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0.3595097199999984 0.4905752199999966 0.6105111899999969
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0.4743171200000020 0.5769628400000002 0.4218408600000032
0.6431783700000011 0.6400706399999976 0.5632202099999972
0.6813879500000013 0.6198165300000014 0.4777362999999966
0.6178361199999998 0.6253491000000011 0.3108191299999987
0.5510756899999976 0.5710499500000026 0.5642993499999989
0.5300809800000010 0.5436880299999984 0.4607977399999967
0.5364855500000019 0.6307234300000033 0.4807240800000017
0.5966004499999968 0.8260747799999990 0.4606533600000020
0.5994151700000003 0.7811700399999992 0.5630285000000015
0.5652939399999966 0.7515096799999981 0.4748745999999997
0.6486718399999987 0.7518201399999995 0.2968972800000031
0.6929126599999975 0.8015774799999988 0.5055982800000010
0.6496713700000001 0.4170604700000027 0.3419230900000017
0.6773232600000014 0.4017501200000027 0.4935213099999984
0.5314763499999984 0.2887218500000017 0.4011409299999968
0.5650611800000007 0.3635587699999974 0.2887138500000006
0.5309441200000009 0.4159669599999987 0.5696763799999971
0.5509393700000018 0.2971234600000017 0.5750707799999972
0.6099024700000015 0.4339800999999994 0.6652291700000035
0.6303870899999993 0.3562220299999979 0.6634329199999982
0.6328472200000022 0.2690597300000022 0.2867458099999993
0.6177727500000003 0.2202365899999990 0.3721592300000012
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