iterations/neb0_image08_iter12_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
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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0.5601359300000013 0.3889548000000005 0.2622844200000003
0.6148759800000008 0.3623430199999973 0.2886659199999997
0.6019355899999965 0.2943361199999970 0.4759690300000017
0.5012892499999992 0.4233325300000033 0.4164264500000030
0.5148574199999985 0.4197115999999994 0.5282302399999992
0.4990438299999980 0.3473517400000006 0.4653658000000007
0.4933733399999980 0.2043857500000001 0.2621684900000005
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0.5519005399999983 0.6444606100000030 0.4145691299999967
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0.5964814599999997 0.5875910099999970 0.2672361300000006
0.6444288499999971 0.6296086799999969 0.2730672300000023
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0.7018462300000010 0.6782028399999973 0.6055393999999978
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