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MATLAB-code
ASE database
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age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 401-31 out of 31
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Maximum stress
✕
Maximum force
✕
Mass
✕
401
0.000
0.016
17285.869
402
0.000
0.105
17285.869
403
0.000
0.023
17285.869
404
0.000
0.020
17285.869
405
0.000
0.024
17285.869
406
0.000
0.010
17285.869
407
0.000
0.018
17285.869
408
0.000
0.021
17285.869
409
0.000
0.024
17285.869
410
0.000
0.016
17285.869
411
0.000
0.015
17285.869
412
0.000
0.017
17285.869
413
0.000
0.009
17285.869
414
0.000
0.010
17285.869
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