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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 1-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
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
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200
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ID
✕
Charge
✕
Mass
✕
1
0.000
17285.869
2
0.000
17285.869
3
0.000
17285.869
4
0.000
17285.869
5
0.000
17285.869
6
0.000
17285.869
7
0.000
17285.869
8
0.000
17285.869
9
0.000
17285.869
10
0.000
17285.869
11
0.000
17285.869
12
0.000
17285.869
13
0.000
17285.869
14
0.000
17285.869
15
0.000
17285.869
16
0.000
17285.869
17
0.000
17285.869
18
0.000
17285.869
19
0.000
17285.869
20
0.000
17285.869
21
0.000
17285.869
22
0.000
17285.869
23
0.000
17285.869
24
0.000
17285.869
25
0.000
17285.869
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