iterations/neb0_image08_iter49_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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0.4530543799999975 0.4288601000000014 0.2622494499999988
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0.6397750900000005 0.6445975000000033 0.5432703399999994
0.6871811700000023 0.6342705499999965 0.4669008099999985
0.6016364899999971 0.6240909200000004 0.2978736299999980
0.5647694199999975 0.5944543199999970 0.5854842800000029
0.5475580000000022 0.5303459699999991 0.4957558500000019
0.5350069400000024 0.6158134799999999 0.4849665799999983
0.5855724999999978 0.8274844500000000 0.4416451600000002
0.5884105700000006 0.7831725100000000 0.5440766999999980
0.5543374399999976 0.7531486199999975 0.4557819600000030
0.6369352399999997 0.7539744099999979 0.2758362900000009
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0.6383929300000020 0.4174196700000010 0.3224762999999982
0.6672965200000007 0.4007876599999989 0.4755771499999994
0.5198937400000005 0.2900655899999975 0.3833080799999991
0.5535498599999968 0.3658729899999997 0.2706051099999982
0.5208380500000018 0.4178360399999974 0.5579160699999974
0.5396114600000033 0.2982958899999986 0.5567372699999993
0.5983274900000026 0.4346489899999995 0.6475029300000017
0.6202083599999995 0.3584610699999971 0.6464878099999964
0.6210359399999987 0.2708763999999988 0.2676017900000005
0.6059557700000013 0.2212844000000018 0.3520256700000033
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