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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 501-0 out of 0
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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
PBC
✕
Age
✕
Mass
✕
501
TTT
59M
17285.869
502
TTT
59M
17285.869
503
TTT
59M
17285.869
504
TTT
59M
17285.869
505
TTT
59M
17285.869
506
TTT
59M
17285.869
507
TTT
59M
17285.869
508
TTT
59M
17285.869
509
TTT
59M
17285.869
510
TTT
59M
17285.869
511
TTT
59M
17285.869
512
TTT
59M
17285.869
513
TTT
59M
17285.869
514
TTT
59M
17285.869
515
TTT
59M
17285.869
516
TTT
59M
17285.869
517
TTT
59M
17285.869
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