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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 1-25 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Mass
✕
Charge
✕
1
17285.869
0.000
2
17285.869
0.000
3
17285.869
0.000
4
17285.869
0.000
5
17285.869
0.000
6
17285.869
0.000
7
17285.869
0.000
8
17285.869
0.000
9
17285.869
0.000
10
17285.869
0.000
11
17285.869
0.000
12
17285.869
0.000
13
17285.869
0.000
14
17285.869
0.000
15
17285.869
0.000
16
17285.869
0.000
17
17285.869
0.000
18
17285.869
0.000
19
17285.869
0.000
20
17285.869
0.000
21
17285.869
0.000
22
17285.869
0.000
23
17285.869
0.000
24
17285.869
0.000
25
17285.869
0.000
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