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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 1501-17 out of 17
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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)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
1501
Au
8
Si
4
0.001
1502
Au
8
Si
4
0.001
1503
Au
8
Si
4
0.001
1504
Au
8
Si
4
0.001
1505
Au
8
Si
4
0.001
1506
Au
8
Si
4
0.001
1507
Au
8
Si
4
0.001
1508
Au
8
Si
4
0.001
1509
Au
8
Si
4
0.001
1510
Au
8
Si
4
0.001
1511
Au
8
Si
4
0.001
1512
Au
8
Si
4
0.001
1513
Au
8
Si
4
0.001
1514
Au
8
Si
4
0.001
1515
Au
8
Si
4
0.001
1516
Au
8
Si
4
0.001
1517
Au
8
Si
4
0.001
1518
Au
8
Si
4
0.001
1519
Au
8
Si
4
0.001
1520
Au
8
Si
4
0.001
1521
Au
8
Si
4
0.001
1522
Au
8
Si
4
0.001
1523
Au
8
Si
4
0.001
1524
Au
8
Si
4
0.001
1525
Au
8
Si
4
0.001
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