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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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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Au_rate
✕
Maximum force
✕
PBC
✕
Si_rate
✕
E
✕
1
0.714
0.009
TTT
0.286
0.236
2
0.714
0.005
TTT
0.286
0.235
3
0.714
0.006
TTT
0.286
0.236
4
0.714
0.009
TTT
0.286
0.236
5
0.714
0.008
TTT
0.286
0.235
6
0.714
0.009
TTT
0.286
0.235
7
0.714
0.006
TTT
0.286
0.236
8
0.714
0.004
TTT
0.286
0.236
9
0.714
0.005
TTT
0.286
0.236
10
0.714
0.008
TTT
0.286
0.236
11
0.714
0.017
TTT
0.286
0.236
12
0.714
0.006
TTT
0.286
0.236
13
0.714
0.006
TTT
0.286
0.236
14
0.714
0.008
TTT
0.286
0.236
15
0.714
0.006
TTT
0.286
0.236
16
0.714
0.009
TTT
0.286
0.236
17
0.714
0.006
TTT
0.286
0.236
18
0.714
0.003
TTT
0.286
0.236
19
0.714
0.007
TTT
0.286
0.236
20
0.714
0.009
TTT
0.286
0.236
21
0.714
0.007
TTT
0.286
0.235
22
0.714
0.004
TTT
0.286
0.236
23
0.714
0.006
TTT
0.286
0.236
24
0.714
0.010
TTT
0.286
0.236
25
0.714
0.007
TTT
0.286
0.236
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