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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 1501-1525 out of 2180
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Au_rate
E
Si_rate
Time since creation (age)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Calculator
✕
1501
Au
8
Si
4
vasp
1502
Au
8
Si
4
vasp
1503
Au
8
Si
4
vasp
1504
Au
8
Si
4
vasp
1505
Au
8
Si
4
vasp
1506
Au
8
Si
4
vasp
1507
Au
8
Si
4
vasp
1508
Au
8
Si
4
vasp
1509
Au
8
Si
4
vasp
1510
Au
8
Si
4
vasp
1511
Au
8
Si
4
vasp
1512
Au
8
Si
4
vasp
1513
Au
8
Si
4
vasp
1514
Au
8
Si
4
vasp
1515
Au
8
Si
4
vasp
1516
Au
8
Si
4
vasp
1517
Au
8
Si
4
vasp
1518
Au
8
Si
4
vasp
1519
Au
8
Si
4
vasp
1520
Au
8
Si
4
vasp
1521
Au
8
Si
4
vasp
1522
Au
8
Si
4
vasp
1523
Au
8
Si
4
vasp
1524
Au
8
Si
4
vasp
1525
Au
8
Si
4
vasp
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