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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 626-8 out of 8
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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)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
626
Au
8
Si
4
1440.518
627
Au
8
Si
4
1441.005
628
Au
8
Si
4
1440.738
629
Au
8
Si
4
1440.580
630
Au
8
Si
4
1441.124
631
Au
8
Si
4
1440.676
632
Au
8
Si
4
1440.612
633
Au
8
Si
4
1440.848
634
Au
8
Si
4
1441.321
635
Au
8
Si
4
1441.109
636
Au
8
Si
4
1440.493
637
Au
8
Si
4
1440.588
638
Au
8
Si
4
1441.020
639
Au
8
Si
4
1440.753
640
Au
8
Si
4
1440.846
641
Au
8
Si
4
1441.048
642
Au
8
Si
4
1440.858
643
Au
8
Si
4
1440.909
644
Au
10
Si
4
1716.007
645
Au
10
Si
4
1717.322
646
Au
10
Si
4
1717.210
647
Au
10
Si
4
1715.998
648
Au
10
Si
4
1716.581
649
Au
10
Si
4
1717.230
650
Au
10
Si
4
1716.029
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