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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 576-8 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
✕
576
Au
10
Si
4
1716.617
577
Au
10
Si
4
1716.614
578
Au
10
Si
4
1717.006
579
Au
10
Si
4
1715.796
580
Au
10
Si
4
1717.063
581
Au
10
Si
4
1716.870
582
Au
10
Si
4
1716.330
583
Au
10
Si
4
1717.060
584
Au
10
Si
4
1716.410
585
Au
10
Si
4
1716.462
586
Au
10
Si
4
1716.236
587
Au
10
Si
4
1717.002
588
Au
10
Si
4
1716.604
589
Au
10
Si
4
1716.606
590
Au
10
Si
4
1716.547
591
Au
10
Si
4
1717.098
592
Au
10
Si
4
1716.992
593
Au
10
Si
4
1716.876
594
Au
10
Si
4
1716.683
595
Au
10
Si
4
1717.001
596
Au
10
Si
4
1717.342
597
Au
10
Si
4
1717.221
598
Au
10
Si
4
1716.600
599
Au
8
Si
4
1446.697
600
Au
8
Si
4
1443.442
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