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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 1501-8 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)
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
✕
1501
Au
8
Si
4
1502
Au
8
Si
4
1503
Au
8
Si
4
1504
Au
8
Si
4
1505
Au
8
Si
4
1506
Au
8
Si
4
1507
Au
8
Si
4
1508
Au
8
Si
4
1509
Au
8
Si
4
1510
Au
8
Si
4
1511
Au
8
Si
4
1512
Au
8
Si
4
1513
Au
8
Si
4
1514
Au
8
Si
4
1515
Au
8
Si
4
1516
Au
8
Si
4
1517
Au
8
Si
4
1518
Au
8
Si
4
1519
Au
8
Si
4
1520
Au
8
Si
4
1521
Au
8
Si
4
1522
Au
8
Si
4
1523
Au
8
Si
4
1524
Au
8
Si
4
1525
Au
8
Si
4
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