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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 1551-17 out of 17
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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
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
1551
Au
8
Si
4
0.001
1552
Au
8
Si
4
0.001
1553
Au
8
Si
4
0.001
1554
Au
8
Si
4
0.001
1555
Au
8
Si
4
0.001
1556
Au
8
Si
4
0.000
1557
Au
8
Si
4
0.001
1558
Au
8
Si
4
0.001
1559
Au
8
Si
4
0.001
1560
Au
8
Si
4
0.001
1561
Au
8
Si
4
0.001
1562
Au
8
Si
4
0.001
1563
Au
8
Si
4
0.001
1564
Au
8
Si
4
0.001
1565
Au
8
Si
4
0.001
1566
Au
8
Si
4
0.001
1567
Au
8
Si
4
0.001
1568
Au
8
Si
4
0.001
1569
Au
8
Si
4
0.001
1570
Au
8
Si
4
0.001
1571
Au
8
Si
4
0.001
1572
Au
8
Si
4
0.003
1573
Au
8
Si
4
0.001
1574
Au
8
Si
4
0.001
1575
Au
8
Si
4
0.001
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