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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 1576-17 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
✕
1576
Au
8
Si
4
0.011
1577
Au
8
Si
4
0.011
1578
Au
8
Si
4
0.132
1579
Au
8
Si
4
0.009
1580
Au
8
Si
4
0.009
1581
Au
8
Si
4
0.008
1582
Au
8
Si
4
0.009
1583
Au
8
Si
4
0.011
1584
Au
8
Si
4
0.027
1585
Au
8
Si
4
0.013
1586
Au
8
Si
4
0.013
1587
Au
8
Si
4
0.007
1588
Au
8
Si
4
0.016
1589
Au
8
Si
4
0.020
1590
Au
8
Si
4
0.032
1591
Au
8
Si
4
0.211
1592
Au
8
Si
4
0.008
1593
Au
8
Si
4
0.017
1594
Au
8
Si
4
0.199
1595
Au
8
Si
4
0.027
1596
Au
8
Si
4
0.009
1597
Au
8
Si
4
0.007
1598
Au
8
Si
4
0.007
1599
Au
8
Si
4
0.010
1600
Au
8
Si
4
0.008
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