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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)
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
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200
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ID
✕
Formula
✕
Calculator
✕
1551
Au
8
Si
4
vasp
1552
Au
8
Si
4
vasp
1553
Au
8
Si
4
vasp
1554
Au
8
Si
4
vasp
1555
Au
8
Si
4
vasp
1556
Au
8
Si
4
vasp
1557
Au
8
Si
4
vasp
1558
Au
8
Si
4
vasp
1559
Au
8
Si
4
vasp
1560
Au
8
Si
4
vasp
1561
Au
8
Si
4
vasp
1562
Au
8
Si
4
vasp
1563
Au
8
Si
4
vasp
1564
Au
8
Si
4
vasp
1565
Au
8
Si
4
vasp
1566
Au
8
Si
4
vasp
1567
Au
8
Si
4
vasp
1568
Au
8
Si
4
vasp
1569
Au
8
Si
4
vasp
1570
Au
8
Si
4
vasp
1571
Au
8
Si
4
vasp
1572
Au
8
Si
4
vasp
1573
Au
8
Si
4
vasp
1574
Au
8
Si
4
vasp
1575
Au
8
Si
4
vasp
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