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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 594
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Time since creation (age)
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
✕
Volume
✕
Username
✕
perms_num
✕
0.010
8000.000
mse-gucc
1
0.103
7502.572
mse-gucc
1
0.514
4843.699
mse-gucc
1
0.010
8000.000
mse-gucc
1
0.777
4901.317
mse-gucc
1
0.842
3491.818
mse-gucc
1
0.043
7583.240
mse-gucc
1
0.877
4326.471
mse-gucc
1
0.009
8000.000
mse-gucc
2
0.692
3306.728
mse-gucc
2
0.295
3208.464
mse-gucc
1
2.070
4843.897
mse-gucc
1
0.668
4350.536
mse-gucc
1
1.121
4919.381
mse-gucc
1
0.866
5597.694
mse-gucc
1
0.389
4564.732
mse-gucc
1
0.062
7498.766
mse-gucc
2
0.009
8000.000
mse-gucc
2
0.008
8000.000
mse-gucc
1
0.010
8000.000
mse-gucc
1
1.042
5184.820
mse-gucc
1
0.009
8000.000
mse-gucc
1
0.008
8000.000
mse-gucc
1
0.579
4740.028
mse-gucc
2
0.010
8000.000
mse-gucc
1
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