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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 1626-594 out of 594
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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
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200
↓
ID
✕
Formula
✕
Maximum force
✕
1626
Au
16
Si
8
0.119
1627
Au
8
Si
4
0.109
1628
Au
10
Si
4
0.005
1629
Au
10
Si
4
0.008
1630
Au
10
Si
4
0.010
1631
Au
10
Si
4
0.015
1632
Au
10
Si
4
0.009
1633
Au
10
Si
4
0.007
1634
Au
10
Si
4
0.009
1635
Au
10
Si
4
0.006
1636
Au
10
Si
4
0.005
1637
Au
10
Si
4
0.008
1638
Au
10
Si
4
0.008
1639
Au
10
Si
4
0.010
1640
Au
10
Si
4
0.007
1641
Au
10
Si
4
0.009
1642
Au
10
Si
4
0.009
1643
Au
10
Si
4
0.005
1644
Au
10
Si
4
0.014
1645
Au
10
Si
4
0.005
1646
Au
10
Si
4
0.005
1647
Au
10
Si
4
0.010
1648
Au
10
Si
4
0.009
1649
Au
10
Si
4
0.007
1650
Au
10
Si
4
0.010
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