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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
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Volume
✕
1
Au
10
Si
4
43M
1721.197
2
Au
10
Si
4
43M
1721.698
3
Au
10
Si
4
43M
1721.546
4
Au
10
Si
4
43M
1721.917
5
Au
10
Si
4
43M
1721.976
6
Au
10
Si
4
43M
1722.204
7
Au
10
Si
4
43M
1721.182
8
Au
10
Si
4
43M
1721.820
9
Au
10
Si
4
43M
1721.837
10
Au
10
Si
4
43M
1722.012
11
Au
10
Si
4
43M
1721.615
12
Au
10
Si
4
43M
1721.920
13
Au
10
Si
4
43M
1721.786
14
Au
10
Si
4
43M
1721.839
15
Au
10
Si
4
43M
1721.958
16
Au
10
Si
4
43M
1721.838
17
Au
10
Si
4
43M
1721.682
18
Au
10
Si
4
43M
1722.102
19
Au
10
Si
4
43M
1722.038
20
Au
10
Si
4
43M
1721.957
21
Au
10
Si
4
43M
1721.997
22
Au
10
Si
4
43M
1721.932
23
Au
10
Si
4
43M
1721.981
24
Au
10
Si
4
43M
1721.120
25
Au
10
Si
4
43M
1721.904
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