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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 726-8 out of 8
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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
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ID
✕
Formula
✕
Calculator
✕
726
Au
16
Si
8
vasp
727
Au
16
Si
8
vasp
728
Au
16
Si
8
vasp
729
Au
16
Si
8
vasp
730
Au
16
Si
8
vasp
731
Au
16
Si
8
vasp
732
Au
16
Si
8
vasp
733
Au
16
Si
8
vasp
734
Au
16
Si
8
vasp
735
Au
16
Si
8
vasp
736
Au
16
Si
8
vasp
737
Au
16
Si
8
vasp
738
Au
16
Si
8
vasp
739
Au
16
Si
8
vasp
740
Au
16
Si
8
vasp
741
Au
16
Si
8
vasp
742
Au
16
Si
8
vasp
743
Au
16
Si
8
vasp
744
Au
16
Si
8
vasp
745
Au
16
Si
8
vasp
746
Au
20
Si
8
vasp
747
Au
8
Si
4
vasp
748
Au
8
Si
4
vasp
749
Au
8
Si
4
vasp
750
Au
8
Si
4
vasp
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