iterations/neb0_image06_iter16_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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0.4756125400000002 0.5766179100000031 0.4245917699999993
0.6405120299999965 0.6405497399999973 0.5588756900000007
0.6788316000000023 0.6203561700000009 0.4734484800000018
0.6151443099999980 0.6257692699999993 0.3065713599999995
0.5487476200000003 0.5717279300000015 0.5611670300000000
0.5288529999999980 0.5436891100000025 0.4577630799999994
0.5340642999999972 0.6310099600000001 0.4767125400000012
0.5939368800000011 0.8265725700000033 0.4563523699999976
0.5967554699999980 0.7816605300000035 0.5587052500000027
0.5626271900000006 0.7520101699999984 0.4705860199999989
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0.6902455099999969 0.8021032400000010 0.5013344400000008
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0.6151159799999988 0.2206903900000015 0.3678529499999996
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