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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 601-8 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
100
200
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ID
✕
Formula
✕
Maximum force
✕
601
Au
8
Si
4
0.042
602
Au
8
Si
4
0.008
603
Au
8
Si
4
0.292
604
Au
8
Si
4
0.029
605
Au
8
Si
4
0.442
606
Au
8
Si
4
0.009
607
Au
8
Si
4
0.450
608
Au
8
Si
4
0.205
609
Au
8
Si
4
0.093
610
Au
8
Si
4
0.013
611
Au
8
Si
4
0.005
612
Au
8
Si
4
0.136
613
Au
8
Si
4
0.069
614
Au
8
Si
4
0.129
615
Au
8
Si
4
0.006
616
Au
8
Si
4
0.007
617
Au
8
Si
4
0.008
618
Au
8
Si
4
0.007
619
Au
8
Si
4
0.009
620
Au
8
Si
4
0.009
621
Au
8
Si
4
0.007
622
Au
8
Si
4
0.004
623
Au
8
Si
4
0.009
624
Au
8
Si
4
0.010
625
Au
8
Si
4
0.009
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