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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 1551-17 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)
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
50
100
200
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ID
✕
Formula
✕
Maximum force
✕
1551
Au
8
Si
4
0.064
1552
Au
8
Si
4
0.008
1553
Au
8
Si
4
0.012
1554
Au
8
Si
4
0.034
1555
Au
8
Si
4
0.009
1556
Au
8
Si
4
0.004
1557
Au
8
Si
4
0.010
1558
Au
8
Si
4
0.010
1559
Au
8
Si
4
0.008
1560
Au
8
Si
4
0.012
1561
Au
8
Si
4
0.008
1562
Au
8
Si
4
0.010
1563
Au
8
Si
4
0.016
1564
Au
8
Si
4
0.094
1565
Au
8
Si
4
0.014
1566
Au
8
Si
4
0.009
1567
Au
8
Si
4
0.008
1568
Au
8
Si
4
0.013
1569
Au
8
Si
4
0.035
1570
Au
8
Si
4
0.017
1571
Au
8
Si
4
0.010
1572
Au
8
Si
4
0.447
1573
Au
8
Si
4
0.008
1574
Au
8
Si
4
0.025
1575
Au
8
Si
4
0.033
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