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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 1476-8 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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1476
Au
8
Si
4
0.001
1477
Au
8
Si
4
0.001
1478
Au
8
Si
4
0.001
1479
Au
8
Si
4
0.001
1480
Au
8
Si
4
0.001
1481
Au
8
Si
4
0.001
1482
Au
8
Si
4
0.001
1483
Au
8
Si
4
0.001
1484
Au
8
Si
4
0.001
1485
Au
8
Si
4
0.001
1486
Au
8
Si
4
0.001
1487
Au
8
Si
4
0.001
1488
Au
8
Si
4
0.001
1489
Au
8
Si
4
0.001
1490
Au
8
Si
4
0.001
1491
Au
8
Si
4
0.001
1492
Au
8
Si
4
0.001
1493
Au
8
Si
4
0.001
1494
Au
8
Si
4
0.001
1495
Au
8
Si
4
0.002
1496
Au
8
Si
4
0.001
1497
Au
8
Si
4
0.001
1498
Au
8
Si
4
0.001
1499
Au
8
Si
4
0.001
1500
Au
8
Si
4
0.001
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