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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)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
651
Au
10
Si
4
0.000
652
Au
10
Si
4
0.000
653
Au
10
Si
4
0.000
654
Au
10
Si
4
0.000
655
Au
10
Si
4
0.000
656
Au
10
Si
4
0.000
657
Au
10
Si
4
0.000
658
Au
10
Si
4
0.000
659
Au
10
Si
4
0.000
660
Au
10
Si
4
0.000
661
Au
10
Si
4
0.000
662
Au
16
Si
8
0.000
663
Au
16
Si
8
0.000
664
Au
16
Si
8
0.000
665
Au
16
Si
8
0.000
666
Au
16
Si
8
0.000
667
Au
16
Si
8
0.000
668
Au
16
Si
8
0.000
669
Au
16
Si
8
0.000
670
Au
16
Si
8
0.000
671
Au
16
Si
8
0.000
672
Au
16
Si
8
0.000
673
Au
16
Si
8
0.000
674
Au
16
Si
8
0.000
675
Au
16
Si
8
0.000
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