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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 376-400 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
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ID
✕
Formula
✕
Calculator
✕
376
Au
16
Si
8
vasp
377
Au
16
Si
8
vasp
378
Au
16
Si
8
vasp
379
Au
16
Si
8
vasp
380
Au
16
Si
8
vasp
381
Au
16
Si
8
vasp
382
Au
16
Si
8
vasp
383
Au
16
Si
8
vasp
384
Au
16
Si
8
vasp
385
Au
16
Si
8
vasp
386
Au
16
Si
8
vasp
387
Au
16
Si
8
vasp
388
Au
16
Si
8
vasp
389
Au
16
Si
8
vasp
390
Au
16
Si
8
vasp
391
Au
16
Si
8
vasp
392
Au
16
Si
8
vasp
393
Au
16
Si
8
vasp
394
Au
16
Si
8
vasp
395
Au
16
Si
8
vasp
396
Au
16
Si
8
vasp
397
Au
16
Si
8
vasp
398
Au
16
Si
8
vasp
399
Au
16
Si
8
vasp
400
Au
16
Si
8
vasp
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