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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 1601-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Calculator
✕
1601
Au
8
Si
4
vasp
1602
Au
8
Si
4
vasp
1603
Au
8
Si
4
vasp
1604
Au
8
Si
4
vasp
1605
Au
8
Si
4
vasp
1606
Au
8
Si
4
vasp
1607
Au
8
Si
4
vasp
1608
Au
8
Si
4
vasp
1609
Au
8
Si
4
vasp
1610
Au
8
Si
4
vasp
1611
Au
8
Si
4
vasp
1612
Au
8
Si
4
vasp
1613
Au
8
Si
4
vasp
1614
Au
8
Si
4
vasp
1615
Au
8
Si
4
vasp
1616
Au
8
Si
4
vasp
1617
Au
8
Si
4
vasp
1618
Au
8
Si
4
vasp
1619
Au
8
Si
4
vasp
1620
Au
8
Si
4
vasp
1621
Au
8
Si
4
vasp
1622
Au
8
Si
4
vasp
1623
Au
8
Si
4
vasp
1624
Au
16
Si
8
vasp
1625
Au
16
Si
8
vasp
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