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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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
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200
Maximum force
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Username
✕
perms_num
✕
Volume
✕
Age
✕
Mass
✕
0.010
mse-gucc
1
8000.000
6y
17285.869
0.103
mse-gucc
1
7502.572
6y
17285.869
0.514
mse-gucc
1
4843.699
6y
17285.869
0.010
mse-gucc
1
8000.000
6y
17285.869
0.777
mse-gucc
1
4901.317
6y
17285.869
0.842
mse-gucc
1
3491.818
6y
17285.869
0.043
mse-gucc
1
7583.240
6y
17285.869
0.877
mse-gucc
1
4326.471
6y
17285.869
0.009
mse-gucc
2
8000.000
6y
17285.869
0.692
mse-gucc
2
3306.728
6y
17285.869
0.295
mse-gucc
1
3208.464
6y
17285.869
2.070
mse-gucc
1
4843.897
6y
17285.869
0.668
mse-gucc
1
4350.536
6y
17285.869
1.121
mse-gucc
1
4919.381
6y
17285.869
0.866
mse-gucc
1
5597.694
6y
17285.869
0.389
mse-gucc
1
4564.732
6y
17285.869
0.062
mse-gucc
2
7498.766
6y
17285.869
0.009
mse-gucc
2
8000.000
6y
17285.869
0.008
mse-gucc
1
8000.000
6y
17285.869
0.010
mse-gucc
1
8000.000
6y
17285.869
1.042
mse-gucc
1
5184.820
6y
17285.869
0.009
mse-gucc
1
8000.000
6y
17285.869
0.008
mse-gucc
1
8000.000
6y
17285.869
0.579
mse-gucc
2
4740.028
6y
17285.869
0.010
mse-gucc
1
8000.000
6y
17285.869
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