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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
1
0.074
mse-gucc
1
7652.244
2
0.411
mse-gucc
1
5086.352
3
0.940
mse-gucc
1
5099.068
4
0.807
mse-gucc
1
4496.830
5
0.273
mse-gucc
1
7807.719
6
0.991
mse-gucc
2
4132.325
7
0.497
mse-gucc
1
6310.179
8
10.605
mse-gucc
2
1365.100
9
0.029
mse-gucc
4
7815.418
10
0.805
mse-gucc
2
5994.587
11
0.009
mse-gucc
1
8000.000
12
0.099
mse-gucc
2
7380.108
13
0.787
mse-gucc
2
4421.837
14
0.581
mse-gucc
2
5343.978
15
0.420
mse-gucc
2
5115.069
16
14.369
mse-gucc
2
1456.903
17
0.564
mse-gucc
2
6363.060
18
0.009
mse-gucc
1
8000.000
19
10.655
mse-gucc
2
1435.733
20
0.552
mse-gucc
2
4242.784
21
0.764
mse-gucc
1
4819.303
22
0.290
mse-gucc
2
7132.046
23
0.473
mse-gucc
2
4067.095
24
0.268
mse-gucc
1
7466.286
25
0.669
mse-gucc
2
6167.320
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