4_0/set.16
General
- Tube: (4,0) tube, 7 unit cells, one vacancy (111 atoms)
- Temperature: 320.0 K
- Time step: 1 hbar/eV
- Iterations: 55600
- Propagation time: 55600.000 hbar/eV (36.596 ps)
- Lattice constant: (30.004336, 35.565039)
- Velocity: 0.15195 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.3:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.4:
Temperature,
Pot. energy,
Movie,
Seven atom wire formed (does not break).
- run.5:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.6:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.7:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.8:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.9:
Temperature,
Pot. energy,
Movie,
Ejection of a C2 and formation of a five atom wire (does not break).
- run.10:
Temperature,
Pot. energy,
Movie,
Tube breaks.
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