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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 526-18 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)
Maximum force (fmax)
Magnetic moment (magmom)
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
✕
Mass
✕
526
Au
10
Si
4
2082.006
527
Au
10
Si
4
2082.006
528
Au
10
Si
4
2082.006
529
Au
10
Si
4
2082.006
530
Au
10
Si
4
2082.006
531
Au
10
Si
4
2082.006
532
Au
10
Si
4
2082.006
533
Au
10
Si
4
2082.006
534
Au
10
Si
4
2082.006
535
Au
10
Si
4
2082.006
536
Au
10
Si
4
2082.006
537
Au
10
Si
4
2082.006
538
Au
10
Si
4
2082.006
539
Au
10
Si
4
2082.006
540
Au
10
Si
4
2082.006
541
Au
10
Si
4
2082.006
542
Au
10
Si
4
2082.006
543
Au
10
Si
4
2082.006
544
Au
10
Si
4
2082.006
545
Au
10
Si
4
2082.006
546
Au
10
Si
4
2082.006
547
Au
10
Si
4
2082.006
548
Au
10
Si
4
2082.006
549
Au
10
Si
4
2082.006
550
Au
10
Si
4
2082.006
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