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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
perms_number
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
↓
ID
✕
Maximum stress
✕
Mass
✕
Maximum force
✕
401
0.000
17285.869
0.014
402
0.000
17285.869
0.115
403
0.000
17285.869
0.059
404
0.000
17285.869
0.023
405
0.000
17285.869
0.031
406
0.000
17285.869
0.035
407
0.000
17285.869
0.023
408
0.000
17285.869
0.051
409
0.000
17285.869
0.014
410
0.000
17285.869
0.021
411
0.000
17285.869
0.120
412
0.000
17285.869
0.020
413
0.000
17285.869
0.262
414
0.000
17285.869
0.033
415
0.000
17285.869
0.041
416
0.000
17285.869
0.025
417
0.000
17285.869
0.020
418
0.000
17285.869
0.022
419
0.000
17285.869
0.013
420
0.000
17285.869
0.045
421
0.000
17285.869
0.052
422
0.000
17285.869
0.190
423
0.000
17285.869
0.070
424
0.001
17285.869
0.336
425
0.000
17285.869
0.045
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