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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 1601-18 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)
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
↓
ID
✕
Formula
✕
Maximum force
✕
1601
Au
8
Si
4
0.012
1602
Au
8
Si
4
0.026
1603
Au
8
Si
4
0.006
1604
Au
8
Si
4
0.006
1605
Au
8
Si
4
0.037
1606
Au
8
Si
4
0.006
1607
Au
8
Si
4
0.014
1608
Au
8
Si
4
0.023
1609
Au
8
Si
4
0.022
1610
Au
8
Si
4
0.010
1611
Au
8
Si
4
0.032
1612
Au
8
Si
4
0.018
1613
Au
8
Si
4
0.006
1614
Au
8
Si
4
0.012
1615
Au
8
Si
4
0.007
1616
Au
8
Si
4
0.006
1617
Au
8
Si
4
0.009
1618
Au
8
Si
4
0.007
1619
Au
8
Si
4
0.007
1620
Au
8
Si
4
0.015
1621
Au
8
Si
4
0.006
1622
Au
8
Si
4
0.010
1623
Au
8
Si
4
0.011
1624
Au
16
Si
8
0.661
1625
Au
16
Si
8
0.011
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