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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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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
perms_num
✕
Maximum force
✕
Username
✕
Mass
✕
1
1
0.010
mse-gucc
17285.869
2
1
0.103
mse-gucc
17285.869
3
1
0.514
mse-gucc
17285.869
4
1
0.010
mse-gucc
17285.869
5
1
0.777
mse-gucc
17285.869
6
1
0.842
mse-gucc
17285.869
7
1
0.043
mse-gucc
17285.869
8
1
0.877
mse-gucc
17285.869
9
2
0.009
mse-gucc
17285.869
10
2
0.692
mse-gucc
17285.869
11
1
0.295
mse-gucc
17285.869
12
1
2.070
mse-gucc
17285.869
13
1
0.668
mse-gucc
17285.869
14
1
1.121
mse-gucc
17285.869
15
1
0.866
mse-gucc
17285.869
16
1
0.389
mse-gucc
17285.869
17
2
0.062
mse-gucc
17285.869
18
2
0.009
mse-gucc
17285.869
19
1
0.008
mse-gucc
17285.869
20
1
0.010
mse-gucc
17285.869
21
1
1.042
mse-gucc
17285.869
22
1
0.009
mse-gucc
17285.869
23
1
0.008
mse-gucc
17285.869
24
2
0.579
mse-gucc
17285.869
25
1
0.010
mse-gucc
17285.869
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