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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 651-31 out of 31
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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
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200
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ID
✕
Formula
✕
Calculator
✕
651
Au
10
Si
4
vasp
652
Au
10
Si
4
vasp
653
Au
10
Si
4
vasp
654
Au
10
Si
4
vasp
655
Au
10
Si
4
vasp
656
Au
10
Si
4
vasp
657
Au
10
Si
4
vasp
658
Au
10
Si
4
vasp
659
Au
10
Si
4
vasp
660
Au
10
Si
4
vasp
661
Au
10
Si
4
vasp
662
Au
16
Si
8
vasp
663
Au
16
Si
8
vasp
664
Au
16
Si
8
vasp
665
Au
16
Si
8
vasp
666
Au
16
Si
8
vasp
667
Au
16
Si
8
vasp
668
Au
16
Si
8
vasp
669
Au
16
Si
8
vasp
670
Au
16
Si
8
vasp
671
Au
16
Si
8
vasp
672
Au
16
Si
8
vasp
673
Au
16
Si
8
vasp
674
Au
16
Si
8
vasp
675
Au
16
Si
8
vasp
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