iterations/neb0_image07_iter60_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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0.3688773000000012 0.5936085700000007 0.4332206200000002
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0.3218621999999982 0.4749295599999996 0.5739154999999982
0.3684617299999999 0.4881584800000027 0.6265732299999982
0.4728584599999976 0.5698460999999995 0.3150961500000022
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0.6481624999999980 0.6475495400000000 0.5464014100000014
0.6942649900000006 0.6416711199999980 0.4732507499999983
0.6000305999999966 0.6227771699999991 0.3037173900000028
0.5781296299999994 0.6023037300000027 0.5971138900000028
0.5555456599999999 0.5265093699999994 0.5357055500000030
0.5384522700000005 0.6064283300000000 0.4991806299999979
0.5871243899999996 0.8263782599999985 0.4435820100000001
0.5898590999999982 0.7829277800000014 0.5457403300000010
0.5562487300000001 0.7524931399999986 0.4577163200000030
0.6378016500000001 0.7540945399999970 0.2755457100000029
0.6840123300000016 0.8102895600000011 0.4908957099999967
0.6396539699999977 0.4162910399999973 0.3254080999999971
0.6694043600000015 0.3975965599999967 0.4775153300000028
0.5213460100000020 0.2899767800000035 0.3851047699999981
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0.5222513100000015 0.4168628299999995 0.5606467100000003
0.5413909399999994 0.2979665800000006 0.5586945200000031
0.5998717599999992 0.4349715500000002 0.6511424099999985
0.6227018000000015 0.3583157999999997 0.6491025199999996
0.6217077100000026 0.2704906299999976 0.2684466299999997
0.6062266799999989 0.2203774999999979 0.3521119799999965
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