iterations/neb0_image09_iter5_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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0.2753853299999989 0.3951737800000004 0.2906644799999967
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0.2773980099999989 0.4883877299999995 0.2977399800000029
0.1767234499999972 0.5338511699999984 0.2585379000000003
0.3689056300000004 0.5374377500000023 0.3736637299999970
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0.5975079299999990 0.5770809500000027 0.4266047400000019
0.6344493900000003 0.7270349699999983 0.4284228699999986
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0.1130031200000019 0.5826270700000009 0.3115160199999991
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0.3224267399999974 0.4747230500000015 0.5726763400000010
0.3700558199999975 0.4886337599999990 0.6276251800000026
0.5023554500000031 0.5678661899999966 0.3346036699999999
0.4818095999999983 0.5761665100000002 0.4367320799999987
0.6326016699999997 0.6419775800000025 0.5461436900000010
0.6709117899999981 0.6217547299999993 0.4606993399999979
0.6073116700000014 0.6273455099999978 0.2937648600000031
0.5408538100000015 0.5731490699999995 0.5477899099999988
0.5233949200000012 0.5441136099999966 0.4466426700000028
0.5261621800000000 0.6327554000000006 0.4637850399999977
0.5860776999999970 0.8280078900000021 0.4436310500000005
0.5888913499999973 0.7830862100000004 0.5459548299999994
0.5547600900000020 0.7534067899999997 0.4578249999999997
0.6381377399999977 0.7537670000000034 0.2798663100000027
0.6823764900000029 0.8035266199999995 0.4885820599999988
0.6391361900000021 0.4189540300000019 0.3248761700000031
0.6667765099999983 0.4036384699999971 0.4764373399999968
0.5209500699999978 0.2906035600000010 0.3841008300000013
0.5545400800000024 0.3655047700000011 0.2716630700000024
0.5205539099999967 0.4178470700000005 0.5527844000000002
0.5403920299999996 0.2991071100000013 0.5580091300000021
0.5993717400000023 0.4359212600000006 0.6482062500000012
0.6198714100000018 0.3581294700000015 0.6463774500000028
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0.6072814600000029 0.2221601299999989 0.3551594699999967
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