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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 1-25 out of 414
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ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Mass
✕
Age
✕
Username
✕
PBC
✕
Charge
✕
1
17285.869
53M
mse-gucc
TTT
0.000
2
17285.869
53M
mse-gucc
TTT
0.000
3
17285.869
53M
mse-gucc
TTT
0.000
4
17285.869
53M
mse-gucc
TTT
0.000
5
17285.869
53M
mse-gucc
TTT
0.000
6
17285.869
53M
mse-gucc
TTT
0.000
7
17285.869
53M
mse-gucc
TTT
0.000
8
17285.869
53M
mse-gucc
TTT
0.000
9
17285.869
53M
mse-gucc
TTT
0.000
10
17285.869
53M
mse-gucc
TTT
0.000
11
17285.869
53M
mse-gucc
TTT
0.000
12
17285.869
53M
mse-gucc
TTT
0.000
13
17285.869
53M
mse-gucc
TTT
0.000
14
17285.869
53M
mse-gucc
TTT
0.000
15
17285.869
53M
mse-gucc
TTT
0.000
16
17285.869
53M
mse-gucc
TTT
0.000
17
17285.869
53M
mse-gucc
TTT
0.000
18
17285.869
53M
mse-gucc
TTT
0.000
19
17285.869
53M
mse-gucc
TTT
0.000
20
17285.869
53M
mse-gucc
TTT
0.000
21
17285.869
53M
mse-gucc
TTT
0.000
22
17285.869
53M
mse-gucc
TTT
0.000
23
17285.869
53M
mse-gucc
TTT
0.000
24
17285.869
53M
mse-gucc
TTT
0.000
25
17285.869
53M
mse-gucc
TTT
0.000
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