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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 1701-18 out of 18
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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1701
Au
10
Si
4
0.001
1702
Au
10
Si
4
0.000
1703
Au
10
Si
4
0.000
1704
Au
10
Si
4
0.000
1705
Au
10
Si
4
0.001
1706
Au
10
Si
4
0.001
1707
Au
10
Si
4
0.000
1708
Au
10
Si
4
0.001
1709
Au
10
Si
4
0.001
1710
Au
10
Si
4
0.001
1711
Au
10
Si
4
0.001
1712
Au
10
Si
4
0.000
1713
Au
10
Si
4
0.001
1714
Au
10
Si
4
0.000
1715
Au
10
Si
4
0.001
1716
Au
10
Si
4
0.001
1717
Au
10
Si
4
0.001
1718
Au
10
Si
4
0.001
1719
Au
10
Si
4
0.001
1720
Au
10
Si
4
0.001
1721
Au
10
Si
4
0.001
1722
Au
10
Si
4
0.001
1723
Au
10
Si
4
0.001
1724
Au
10
Si
4
0.001
1725
Au
10
Si
4
0.001
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