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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 1601-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
1601
Au
8
Si
4
0.000
1602
Au
8
Si
4
0.000
1603
Au
8
Si
4
0.000
1604
Au
8
Si
4
0.000
1605
Au
8
Si
4
0.000
1606
Au
8
Si
4
0.000
1607
Au
8
Si
4
0.000
1608
Au
8
Si
4
0.000
1609
Au
8
Si
4
0.000
1610
Au
8
Si
4
0.000
1611
Au
8
Si
4
0.000
1612
Au
8
Si
4
0.000
1613
Au
8
Si
4
0.000
1614
Au
8
Si
4
0.000
1615
Au
8
Si
4
0.000
1616
Au
8
Si
4
0.000
1617
Au
8
Si
4
0.000
1618
Au
8
Si
4
0.000
1619
Au
8
Si
4
0.000
1620
Au
8
Si
4
0.000
1621
Au
8
Si
4
0.000
1622
Au
8
Si
4
0.000
1623
Au
8
Si
4
0.000
1624
Au
16
Si
8
0.000
1625
Au
16
Si
8
0.000
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