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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 701-31 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
✕
701
Au
16
Si
8
vasp
702
Au
16
Si
8
vasp
703
Au
16
Si
8
vasp
704
Au
16
Si
8
vasp
705
Au
16
Si
8
vasp
706
Au
16
Si
8
vasp
707
Au
16
Si
8
vasp
708
Au
16
Si
8
vasp
709
Au
16
Si
8
vasp
710
Au
16
Si
8
vasp
711
Au
16
Si
8
vasp
712
Au
16
Si
8
vasp
713
Au
16
Si
8
vasp
714
Au
16
Si
8
vasp
715
Au
16
Si
8
vasp
716
Au
16
Si
8
vasp
717
Au
16
Si
8
vasp
718
Au
16
Si
8
vasp
719
Au
16
Si
8
vasp
720
Au
16
Si
8
vasp
721
Au
16
Si
8
vasp
722
Au
16
Si
8
vasp
723
Au
16
Si
8
vasp
724
Au
16
Si
8
vasp
725
Au
16
Si
8
vasp
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