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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 551-31 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)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
551
Au
10
Si
4
1716.181
552
Au
10
Si
4
1716.343
553
Au
10
Si
4
1716.645
554
Au
10
Si
4
1716.234
555
Au
10
Si
4
1716.742
556
Au
10
Si
4
1716.504
557
Au
10
Si
4
1716.323
558
Au
10
Si
4
1716.975
559
Au
10
Si
4
1717.052
560
Au
10
Si
4
1716.927
561
Au
10
Si
4
1715.763
562
Au
10
Si
4
1717.065
563
Au
10
Si
4
1716.975
564
Au
10
Si
4
1715.952
565
Au
10
Si
4
1717.176
566
Au
10
Si
4
1716.473
567
Au
10
Si
4
1716.278
568
Au
10
Si
4
1716.905
569
Au
10
Si
4
1716.354
570
Au
10
Si
4
1716.262
571
Au
10
Si
4
1716.890
572
Au
10
Si
4
1717.176
573
Au
10
Si
4
1716.588
574
Au
10
Si
4
1716.705
575
Au
10
Si
4
1716.715
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