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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)
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
✕
Maximum force
✕
526
Au
10
Si
4
0.006
527
Au
10
Si
4
0.008
528
Au
10
Si
4
0.005
529
Au
10
Si
4
0.006
530
Au
10
Si
4
0.007
531
Au
10
Si
4
0.007
532
Au
10
Si
4
0.004
533
Au
10
Si
4
0.010
534
Au
10
Si
4
0.009
535
Au
10
Si
4
0.005
536
Au
10
Si
4
0.003
537
Au
10
Si
4
0.007
538
Au
10
Si
4
0.010
539
Au
10
Si
4
0.010
540
Au
10
Si
4
0.009
541
Au
10
Si
4
0.009
542
Au
10
Si
4
0.009
543
Au
10
Si
4
0.010
544
Au
10
Si
4
0.005
545
Au
10
Si
4
0.009
546
Au
10
Si
4
0.007
547
Au
10
Si
4
0.008
548
Au
10
Si
4
0.009
549
Au
10
Si
4
0.004
550
Au
10
Si
4
0.007
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