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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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
1501
Au
8
Si
4
0.000
1502
Au
8
Si
4
0.000
1503
Au
8
Si
4
0.000
1504
Au
8
Si
4
0.000
1505
Au
8
Si
4
0.000
1506
Au
8
Si
4
0.000
1507
Au
8
Si
4
0.000
1508
Au
8
Si
4
0.000
1509
Au
8
Si
4
0.000
1510
Au
8
Si
4
0.000
1511
Au
8
Si
4
0.000
1512
Au
8
Si
4
0.000
1513
Au
8
Si
4
0.000
1514
Au
8
Si
4
0.000
1515
Au
8
Si
4
0.000
1516
Au
8
Si
4
0.000
1517
Au
8
Si
4
0.000
1518
Au
8
Si
4
0.000
1519
Au
8
Si
4
0.000
1520
Au
8
Si
4
0.000
1521
Au
8
Si
4
0.000
1522
Au
8
Si
4
0.000
1523
Au
8
Si
4
0.000
1524
Au
8
Si
4
0.000
1525
Au
8
Si
4
0.000
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