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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)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
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
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
Age
✕
0.010
mse-gucc
1
8000.000
6y
0.103
mse-gucc
1
7502.572
6y
0.514
mse-gucc
1
4843.699
6y
0.010
mse-gucc
1
8000.000
6y
0.777
mse-gucc
1
4901.317
6y
0.842
mse-gucc
1
3491.818
6y
0.043
mse-gucc
1
7583.240
6y
0.877
mse-gucc
1
4326.471
6y
0.009
mse-gucc
2
8000.000
6y
0.692
mse-gucc
2
3306.728
6y
0.295
mse-gucc
1
3208.464
6y
2.070
mse-gucc
1
4843.897
6y
0.668
mse-gucc
1
4350.536
6y
1.121
mse-gucc
1
4919.381
6y
0.866
mse-gucc
1
5597.694
6y
0.389
mse-gucc
1
4564.732
6y
0.062
mse-gucc
2
7498.766
6y
0.009
mse-gucc
2
8000.000
6y
0.008
mse-gucc
1
8000.000
6y
0.010
mse-gucc
1
8000.000
6y
1.042
mse-gucc
1
5184.820
6y
0.009
mse-gucc
1
8000.000
6y
0.008
mse-gucc
1
8000.000
6y
0.579
mse-gucc
2
4740.028
6y
0.010
mse-gucc
1
8000.000
6y
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