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