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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 1526-18 out of 18
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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
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200
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ID
✕
Formula
✕
Calculator
✕
1526
Au
8
Si
4
vasp
1527
Au
8
Si
4
vasp
1528
Au
8
Si
4
vasp
1529
Au
8
Si
4
vasp
1530
Au
8
Si
4
vasp
1531
Au
8
Si
4
vasp
1532
Au
8
Si
4
vasp
1533
Au
8
Si
4
vasp
1534
Au
8
Si
4
vasp
1535
Au
8
Si
4
vasp
1536
Au
8
Si
4
vasp
1537
Au
8
Si
4
vasp
1538
Au
8
Si
4
vasp
1539
Au
8
Si
4
vasp
1540
Au
8
Si
4
vasp
1541
Au
8
Si
4
vasp
1542
Au
8
Si
4
vasp
1543
Au
8
Si
4
vasp
1544
Au
8
Si
4
vasp
1545
Au
8
Si
4
vasp
1546
Au
8
Si
4
vasp
1547
Au
8
Si
4
vasp
1548
Au
8
Si
4
vasp
1549
Au
8
Si
4
vasp
1550
Au
8
Si
4
vasp
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