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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 601-8 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
✕
1580
Au
8
Si
4
1579
Au
8
Si
4
1578
Au
8
Si
4
1577
Au
8
Si
4
1576
Au
8
Si
4
1575
Au
8
Si
4
1574
Au
8
Si
4
1573
Au
8
Si
4
1572
Au
8
Si
4
1571
Au
8
Si
4
1570
Au
8
Si
4
1569
Au
8
Si
4
1568
Au
8
Si
4
1567
Au
8
Si
4
1566
Au
8
Si
4
1565
Au
8
Si
4
1564
Au
8
Si
4
1563
Au
8
Si
4
1562
Au
8
Si
4
1561
Au
8
Si
4
1560
Au
8
Si
4
1559
Au
8
Si
4
1558
Au
8
Si
4
1557
Au
8
Si
4
1556
Au
8
Si
4
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