iterations/neb0_image03_iter8_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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0.1609958399999982 0.5367174399999968 0.2329796900000005
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0.3674410100000003 0.4233388800000029 0.4726766699999985
0.6130675799999992 0.5737840299999988 0.4507583500000010
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0.1139000399999972 0.4392714000000026 0.2774837099999985
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0.3694531000000012 0.5604228899999981 0.2584985000000017
0.3519397399999988 0.5992639800000035 0.4092977500000003
0.4662639599999991 0.4236225499999975 0.4016002899999975
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0.4069061300000030 0.3890785899999969 0.5119778899999972
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0.4699148799999975 0.5778819599999991 0.4147623699999983
0.6483910999999978 0.6391284299999995 0.5717301800000030
0.6865762199999992 0.6188484700000032 0.4861904500000023
0.6230512699999977 0.6243976599999996 0.3192412200000021
0.5561046400000009 0.5699915000000004 0.5721287100000012
0.5341180699999981 0.5428927800000025 0.4682084700000004
0.5415314500000008 0.6298322800000022 0.4890037099999986
0.6018098099999989 0.8251142599999994 0.4691034100000024
0.6046204299999971 0.7802190700000011 0.5714805400000031
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0.6538883699999971 0.7508920900000007 0.3053114499999978
0.6981155799999996 0.8006322299999979 0.5140512799999968
0.6548757600000030 0.4160857800000031 0.3503800000000012
0.6825393499999990 0.4007602900000009 0.5019641299999975
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0.5361359799999974 0.4150028399999997 0.5780119699999986
0.5561482199999972 0.2961704399999974 0.5834797099999989
0.6151109999999989 0.4329995599999990 0.6736190100000030
0.6355663100000015 0.3553027099999966 0.6718309000000033
0.6380620600000029 0.2681031199999993 0.2951650700000030
0.6229928200000003 0.2192701099999965 0.3806223599999967
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