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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 517
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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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
PBC
✕
1
Au
10
Si
4
1721.197
TTT
2
Au
10
Si
4
1721.698
TTT
3
Au
10
Si
4
1721.546
TTT
4
Au
10
Si
4
1721.917
TTT
5
Au
10
Si
4
1721.976
TTT
6
Au
10
Si
4
1722.204
TTT
7
Au
10
Si
4
1721.182
TTT
8
Au
10
Si
4
1721.820
TTT
9
Au
10
Si
4
1721.837
TTT
10
Au
10
Si
4
1722.012
TTT
11
Au
10
Si
4
1721.615
TTT
12
Au
10
Si
4
1721.920
TTT
13
Au
10
Si
4
1721.786
TTT
14
Au
10
Si
4
1721.839
TTT
15
Au
10
Si
4
1721.958
TTT
16
Au
10
Si
4
1721.838
TTT
17
Au
10
Si
4
1721.682
TTT
18
Au
10
Si
4
1722.102
TTT
19
Au
10
Si
4
1722.038
TTT
20
Au
10
Si
4
1721.957
TTT
21
Au
10
Si
4
1721.997
TTT
22
Au
10
Si
4
1721.932
TTT
23
Au
10
Si
4
1721.981
TTT
24
Au
10
Si
4
1721.120
TTT
25
Au
10
Si
4
1721.904
TTT
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