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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 626-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
✕
Energy
✕
626
Au
8
Si
4
-43.986
627
Au
8
Si
4
-43.976
628
Au
8
Si
4
-43.991
629
Au
8
Si
4
-43.976
630
Au
8
Si
4
-43.994
631
Au
8
Si
4
-43.999
632
Au
8
Si
4
-43.998
633
Au
8
Si
4
-43.979
634
Au
8
Si
4
-43.978
635
Au
8
Si
4
-43.994
636
Au
8
Si
4
-43.981
637
Au
8
Si
4
-43.987
638
Au
8
Si
4
-43.989
639
Au
8
Si
4
-43.982
640
Au
8
Si
4
-43.980
641
Au
8
Si
4
-43.986
642
Au
8
Si
4
-43.981
643
Au
8
Si
4
-43.983
644
Au
10
Si
4
-50.042
645
Au
10
Si
4
-50.018
646
Au
10
Si
4
-50.035
647
Au
10
Si
4
-50.050
648
Au
10
Si
4
-50.036
649
Au
10
Si
4
-50.027
650
Au
10
Si
4
-50.046
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