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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 526-550 out of 594
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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
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ID
✕
Formula
✕
Calculator
✕
526
Au
10
Si
4
vasp
527
Au
10
Si
4
vasp
528
Au
10
Si
4
vasp
529
Au
10
Si
4
vasp
530
Au
10
Si
4
vasp
531
Au
10
Si
4
vasp
532
Au
10
Si
4
vasp
533
Au
10
Si
4
vasp
534
Au
10
Si
4
vasp
535
Au
10
Si
4
vasp
536
Au
10
Si
4
vasp
537
Au
10
Si
4
vasp
538
Au
10
Si
4
vasp
539
Au
10
Si
4
vasp
540
Au
10
Si
4
vasp
541
Au
10
Si
4
vasp
542
Au
10
Si
4
vasp
543
Au
10
Si
4
vasp
544
Au
10
Si
4
vasp
545
Au
10
Si
4
vasp
546
Au
10
Si
4
vasp
547
Au
10
Si
4
vasp
548
Au
10
Si
4
vasp
549
Au
10
Si
4
vasp
550
Au
10
Si
4
vasp
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