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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 551-18 out of 18
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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
✕
551
Au
10
Si
4
0.010
552
Au
10
Si
4
0.007
553
Au
10
Si
4
0.009
554
Au
10
Si
4
0.006
555
Au
10
Si
4
0.010
556
Au
10
Si
4
0.007
557
Au
10
Si
4
0.007
558
Au
10
Si
4
0.010
559
Au
10
Si
4
0.010
560
Au
10
Si
4
0.007
561
Au
10
Si
4
0.010
562
Au
10
Si
4
0.007
563
Au
10
Si
4
0.009
564
Au
10
Si
4
0.006
565
Au
10
Si
4
0.010
566
Au
10
Si
4
0.009
567
Au
10
Si
4
0.006
568
Au
10
Si
4
0.002
569
Au
10
Si
4
0.006
570
Au
10
Si
4
0.004
571
Au
10
Si
4
0.005
572
Au
10
Si
4
0.008
573
Au
10
Si
4
0.002
574
Au
10
Si
4
0.010
575
Au
10
Si
4
0.009
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