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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 1601-17 out of 17
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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)
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
100
200
↓
ID
✕
Formula
✕
Mass
✕
1601
Au
8
Si
4
1688.073
1602
Au
8
Si
4
1688.073
1603
Au
8
Si
4
1688.073
1604
Au
8
Si
4
1688.073
1605
Au
8
Si
4
1688.073
1606
Au
8
Si
4
1688.073
1607
Au
8
Si
4
1688.073
1608
Au
8
Si
4
1688.073
1609
Au
8
Si
4
1688.073
1610
Au
8
Si
4
1688.073
1611
Au
8
Si
4
1688.073
1612
Au
8
Si
4
1688.073
1613
Au
8
Si
4
1688.073
1614
Au
8
Si
4
1688.073
1615
Au
8
Si
4
1688.073
1616
Au
8
Si
4
1688.073
1617
Au
8
Si
4
1688.073
1618
Au
8
Si
4
1688.073
1619
Au
8
Si
4
1688.073
1620
Au
8
Si
4
1688.073
1621
Au
8
Si
4
1688.073
1622
Au
8
Si
4
1688.073
1623
Au
8
Si
4
1688.073
1624
Au
16
Si
8
3376.145
1625
Au
16
Si
8
3376.145
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