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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 26-50 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum force
✕
Username
✕
Energy
✕
26
7138.644
0.495
mse-gucc
-593.061
27
4702.343
1.020
mse-gucc
-599.861
28
7048.224
0.251
mse-gucc
-593.067
29
8000.000
0.008
mse-gucc
-595.788
30
3652.722
0.929
mse-gucc
-596.856
31
5326.678
0.916
mse-gucc
-599.917
32
4443.251
0.447
mse-gucc
-600.810
33
6932.989
0.471
mse-gucc
-595.218
34
4771.670
1.207
mse-gucc
-595.215
35
6294.058
0.274
mse-gucc
-596.684
36
8000.000
0.007
mse-gucc
-597.017
37
7565.245
0.082
mse-gucc
-596.466
38
8000.000
0.010
mse-gucc
-593.190
39
1997.865
262.047
mse-gucc
325.625
40
3863.799
0.725
mse-gucc
-593.937
41
5219.566
0.596
mse-gucc
-594.638
42
4791.026
1.189
mse-gucc
-594.826
43
8000.000
0.009
mse-gucc
-597.430
44
4573.035
0.694
mse-gucc
-597.898
45
4577.814
0.992
mse-gucc
-598.737
46
861.805
109.571
mse-gucc
-107.098
47
8000.000
0.009
mse-gucc
-596.914
48
7059.802
0.245
mse-gucc
-593.312
49
8000.000
0.009
mse-gucc
-595.887
50
8000.000
0.008
mse-gucc
-598.481
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