iterations/neb0_image02_iter7_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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0.3637015899999980 0.4461046999999994 0.5683504200000016
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0.1955178899999979 0.3800121499999989 0.3755019099999970
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0.1009564699999999 0.4650267900000031 0.6219596400000000
0.5714389700000027 0.3593519599999979 0.2640253300000026
0.6261867699999968 0.3327221699999967 0.2903906900000024
0.6131590099999968 0.2649370700000020 0.4774910599999984
0.5077058600000015 0.4028291500000023 0.4190236399999989
0.5256039799999996 0.3913256000000018 0.5311146800000017
0.5100371300000006 0.3209518600000010 0.4659529999999990
0.5046778999999972 0.1747705699999997 0.2637850799999981
0.5047617099999968 0.2520519999999991 0.2050683399999969
0.4935888500000019 0.2507845299999971 0.3211645200000035
0.5928700999999990 0.1515092599999974 0.3840789799999982
0.5914198099999979 0.1974921099999989 0.1534698500000005
0.6744730899999993 0.4522196799999989 0.5413079799999991
0.6841705000000005 0.4806043000000031 0.3839983000000018
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0.6270789699999995 0.5367613900000023 0.6599159399999976
0.5633003900000020 0.6148954599999996 0.4163618600000021
0.6300207700000016 0.6845742599999980 0.4268350400000003
0.6077673500000031 0.5579330999999996 0.2690235299999983
0.6558322500000031 0.6000201700000005 0.2747195899999966
0.7175413499999976 0.5723947099999975 0.6521857899999972
0.7131317799999977 0.6485384699999983 0.6071864700000020
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