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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 1626-8 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
✕
1626
Au
16
Si
8
0.001
1627
Au
8
Si
4
0.001
1628
Au
10
Si
4
0.001
1629
Au
10
Si
4
0.000
1630
Au
10
Si
4
0.001
1631
Au
10
Si
4
0.001
1632
Au
10
Si
4
0.000
1633
Au
10
Si
4
0.001
1634
Au
10
Si
4
0.001
1635
Au
10
Si
4
0.001
1636
Au
10
Si
4
0.000
1637
Au
10
Si
4
0.000
1638
Au
10
Si
4
0.001
1639
Au
10
Si
4
0.001
1640
Au
10
Si
4
0.001
1641
Au
10
Si
4
0.001
1642
Au
10
Si
4
0.000
1643
Au
10
Si
4
0.001
1644
Au
10
Si
4
0.000
1645
Au
10
Si
4
0.001
1646
Au
10
Si
4
0.000
1647
Au
10
Si
4
0.000
1648
Au
10
Si
4
0.001
1649
Au
10
Si
4
0.001
1650
Au
10
Si
4
0.000
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