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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 26-50 out of 414
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Time since creation (age)
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)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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25
50
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ID
✕
Mass
✕
26
17285.869
27
17285.869
28
17285.869
29
17285.869
30
17285.869
31
17285.869
32
17285.869
33
17285.869
34
17285.869
35
17285.869
36
17285.869
37
17285.869
38
17285.869
39
17285.869
40
17285.869
41
17285.869
42
17285.869
43
17285.869
44
17285.869
45
17285.869
46
17285.869
47
17285.869
48
17285.869
49
17285.869
50
17285.869
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