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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 1651-17 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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
PBC
✕
1651
Au
10
Si
4
TTT
1652
Au
10
Si
4
TTT
1653
Au
10
Si
4
TTT
1654
Au
10
Si
4
TTT
1655
Au
10
Si
4
TTT
1656
Au
10
Si
4
TTT
1657
Au
10
Si
4
TTT
1658
Au
10
Si
4
TTT
1659
Au
10
Si
4
TTT
1660
Au
10
Si
4
TTT
1661
Au
10
Si
4
TTT
1662
Au
10
Si
4
TTT
1663
Au
10
Si
4
TTT
1664
Au
10
Si
4
TTT
1665
Au
10
Si
4
TTT
1666
Au
10
Si
4
TTT
1667
Au
10
Si
4
TTT
1668
Au
10
Si
4
TTT
1669
Au
10
Si
4
TTT
1670
Au
10
Si
4
TTT
1671
Au
10
Si
4
TTT
1672
Au
10
Si
4
TTT
1673
Au
10
Si
4
TTT
1674
Au
10
Si
4
TTT
1675
Au
10
Si
4
TTT
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