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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 1-8 out of 8
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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)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Username
✕
Mass
✕
1
mse-gucc
17285.869
2
mse-gucc
17285.869
3
mse-gucc
17285.869
4
mse-gucc
17285.869
5
mse-gucc
17285.869
6
mse-gucc
17285.869
7
mse-gucc
17285.869
8
mse-gucc
17285.869
9
mse-gucc
17285.869
10
mse-gucc
17285.869
11
mse-gucc
17285.869
12
mse-gucc
17285.869
13
mse-gucc
17285.869
14
mse-gucc
17285.869
15
mse-gucc
17285.869
16
mse-gucc
17285.869
17
mse-gucc
17285.869
18
mse-gucc
17285.869
19
mse-gucc
17285.869
20
mse-gucc
17285.869
21
mse-gucc
17285.869
22
mse-gucc
17285.869
23
mse-gucc
17285.869
24
mse-gucc
17285.869
25
mse-gucc
17285.869
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