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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum force
✕
Maximum stress
✕
Mass
✕
1
0.009
0.001
17285.869
2
0.005
0.001
17285.869
3
0.006
0.000
17285.869
4
0.009
0.001
17285.869
5
0.008
0.001
17285.869
6
0.009
0.001
17285.869
7
0.006
0.000
17285.869
8
0.004
0.001
17285.869
9
0.005
0.001
17285.869
10
0.008
0.001
17285.869
11
0.017
0.001
17285.869
12
0.006
0.001
17285.869
13
0.006
0.001
17285.869
14
0.008
0.001
17285.869
15
0.006
0.001
17285.869
16
0.009
0.001
17285.869
17
0.006
0.001
17285.869
18
0.003
0.001
17285.869
19
0.007
0.001
17285.869
20
0.009
0.001
17285.869
21
0.007
0.001
17285.869
22
0.004
0.000
17285.869
23
0.006
0.001
17285.869
24
0.010
0.001
17285.869
25
0.007
0.000
17285.869
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