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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 676-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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
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200
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ID
✕
Formula
✕
Charge
✕
676
Au
16
Si
8
0.000
677
Au
16
Si
8
0.000
678
Au
16
Si
8
0.000
679
Au
16
Si
8
0.000
680
Au
16
Si
8
0.000
681
Au
16
Si
8
0.000
682
Au
16
Si
8
0.000
683
Au
16
Si
8
0.000
684
Au
16
Si
8
0.000
685
Au
16
Si
8
0.000
686
Au
16
Si
8
0.000
687
Au
16
Si
8
0.000
688
Au
16
Si
8
0.000
689
Au
16
Si
8
0.000
690
Au
16
Si
8
0.000
691
Au
16
Si
8
0.000
692
Au
16
Si
8
0.000
693
Au
16
Si
8
0.000
694
Au
16
Si
8
0.000
695
Au
16
Si
8
0.000
696
Au
16
Si
8
0.000
697
Au
16
Si
8
0.000
698
Au
16
Si
8
0.000
699
Au
16
Si
8
0.000
700
Au
16
Si
8
0.000
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