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Au_rate
E
Si_rate
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
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 651-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
651
Au
10
Si
4
0.001
652
Au
10
Si
4
0.001
653
Au
10
Si
4
0.001
654
Au
10
Si
4
0.001
655
Au
10
Si
4
0.001
656
Au
10
Si
4
0.000
657
Au
10
Si
4
0.001
658
Au
10
Si
4
0.001
659
Au
10
Si
4
0.001
660
Au
10
Si
4
0.001
661
Au
10
Si
4
0.001
662
Au
16
Si
8
0.001
663
Au
16
Si
8
0.001
664
Au
16
Si
8
0.001
665
Au
16
Si
8
0.001
666
Au
16
Si
8
0.001
667
Au
16
Si
8
0.001
668
Au
16
Si
8
0.001
669
Au
16
Si
8
0.001
670
Au
16
Si
8
0.001
671
Au
16
Si
8
0.001
672
Au
16
Si
8
0.001
673
Au
16
Si
8
0.001
674
Au
16
Si
8
0.001
675
Au
16
Si
8
0.001
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