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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 626-8 out of 8
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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
✕
Maximum force
✕
626
Au
8
Si
4
0.006
627
Au
8
Si
4
0.007
628
Au
8
Si
4
0.007
629
Au
8
Si
4
0.015
630
Au
8
Si
4
0.008
631
Au
8
Si
4
0.008
632
Au
8
Si
4
0.005
633
Au
8
Si
4
0.008
634
Au
8
Si
4
0.021
635
Au
8
Si
4
0.005
636
Au
8
Si
4
0.006
637
Au
8
Si
4
0.006
638
Au
8
Si
4
0.006
639
Au
8
Si
4
0.009
640
Au
8
Si
4
0.007
641
Au
8
Si
4
0.006
642
Au
8
Si
4
0.012
643
Au
8
Si
4
0.007
644
Au
10
Si
4
0.007
645
Au
10
Si
4
0.010
646
Au
10
Si
4
0.005
647
Au
10
Si
4
0.007
648
Au
10
Si
4
0.008
649
Au
10
Si
4
0.009
650
Au
10
Si
4
0.007
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