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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 1726-17 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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1726
Au
10
Si
4
1716.811
1727
Au
10
Si
4
1716.791
1728
Au
10
Si
4
1716.904
1729
Au
10
Si
4
1717.046
1730
Au
10
Si
4
1717.329
1731
Au
10
Si
4
1717.330
1732
Au
10
Si
4
1716.537
1733
Au
10
Si
4
1716.768
1734
Au
10
Si
4
1717.004
1735
Au
10
Si
4
1716.700
1736
Au
10
Si
4
1716.728
1737
Au
10
Si
4
1716.873
1738
Au
10
Si
4
1716.779
1739
Au
10
Si
4
1717.093
1740
Au
10
Si
4
1717.131
1741
Au
10
Si
4
1717.155
1742
Au
10
Si
4
1717.031
1743
Au
10
Si
4
1716.577
1744
Au
10
Si
4
1716.850
1745
Au
10
Si
4
1717.028
1746
Au
10
Si
4
1716.497
1747
Au
10
Si
4
1716.866
1748
Au
10
Si
4
1717.036
1749
Au
10
Si
4
1716.477
1750
Au
10
Si
4
1716.901
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