iterations/neb0_image09_iter52_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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0.3256834199999972 0.4746927899999989 0.5808084600000001
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0.4764325000000014 0.5689262499999970 0.3083885499999965
0.4095000499999983 0.5977987200000001 0.3616732500000026
0.6403736899999970 0.6460606099999993 0.5375927400000009
0.6899556500000017 0.6395701000000003 0.4652437499999991
0.5973444799999967 0.6240600900000004 0.2955077599999996
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0.6651060700000002 0.4004647399999968 0.4711587999999978
0.5174464799999967 0.2905373800000035 0.3787522599999988
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0.5194893899999968 0.4184600099999969 0.5582586399999983
0.5371912900000027 0.2986553799999996 0.5526411499999995
0.5960840300000001 0.4349042699999970 0.6439518899999968
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0.6185521700000010 0.2713420099999979 0.2631448400000025
0.6033833899999976 0.2217630700000015 0.3475477499999968
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