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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 1-25 out of 31
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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)
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
100
200
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ID
✕
Maximum force
✕
Mass
✕
1
0.009
17285.869
2
0.005
17285.869
3
0.006
17285.869
4
0.009
17285.869
5
0.008
17285.869
6
0.009
17285.869
7
0.006
17285.869
8
0.004
17285.869
9
0.005
17285.869
10
0.008
17285.869
11
0.017
17285.869
12
0.006
17285.869
13
0.006
17285.869
14
0.008
17285.869
15
0.006
17285.869
16
0.009
17285.869
17
0.006
17285.869
18
0.003
17285.869
19
0.007
17285.869
20
0.009
17285.869
21
0.007
17285.869
22
0.004
17285.869
23
0.006
17285.869
24
0.010
17285.869
25
0.007
17285.869
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