iterations/neb0_image04_iter72_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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0.3552495100000002 0.5398480799999987 0.3519586399999994
0.4453022699999991 0.4756407899999999 0.3545811500000013
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0.6096622100000033 0.5734802899999991 0.4451971900000018
0.6475174799999976 0.7245334099999994 0.4498535500000003
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0.1162721399999995 0.4384853399999997 0.2813153800000023
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0.0996963799999975 0.5859826399999974 0.2893346899999969
0.3717605100000014 0.5599471000000023 0.2609080800000001
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0.4693481899999981 0.4208525700000010 0.4080505000000016
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0.4091692100000017 0.3889820099999994 0.5155387000000005
0.3090173800000002 0.4771731900000020 0.5508343799999977
0.3572879999999969 0.4906444100000016 0.6056314100000009
0.4906452399999992 0.5727785699999970 0.3125185000000030
0.4765803000000020 0.5768157999999985 0.4242205999999982
0.6459273700000026 0.6396769799999973 0.5684321499999996
0.6825027599999984 0.6177773499999972 0.4820274100000006
0.6211999900000009 0.6257686000000007 0.3152889099999996
0.5519891900000005 0.5682963100000009 0.5637267500000007
0.5278713299999964 0.5452090300000023 0.4606438400000030
0.5380407399999996 0.6317366399999997 0.4834160699999970
0.5995902100000023 0.8251823000000016 0.4652377500000000
0.6021771400000020 0.7803411100000019 0.5683337199999983
0.5684990900000031 0.7502785499999973 0.4793297699999997
0.6514265400000028 0.7514020799999983 0.3021174000000002
0.6958376199999989 0.8011197699999997 0.5104905299999984
0.6525159099999982 0.4163681499999967 0.3465119299999984
0.6799926099999993 0.4009365799999998 0.4974444200000008
0.5345202399999991 0.2881524399999975 0.4058572100000006
0.5679915699999967 0.3628028099999980 0.2937957099999977
0.5337271000000001 0.4162164500000003 0.5732946999999982
0.5536138000000008 0.2967364599999982 0.5796645900000001
0.6129395399999993 0.4331102499999986 0.6702475199999967
0.6332962500000008 0.3557352300000005 0.6678766400000029
0.6359774700000003 0.2687298800000022 0.2917138199999982
0.6208900399999990 0.2200316699999973 0.3776699599999986
0.00000000E+00 0.00000000E+00 0.00000000E+00
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