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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
526
Au
10
Si
4
1716.923
527
Au
10
Si
4
1716.889
528
Au
10
Si
4
1716.245
529
Au
10
Si
4
1717.003
530
Au
10
Si
4
1716.715
531
Au
10
Si
4
1716.239
532
Au
10
Si
4
1716.539
533
Au
10
Si
4
1716.850
534
Au
10
Si
4
1716.265
535
Au
10
Si
4
1717.299
536
Au
10
Si
4
1716.288
537
Au
10
Si
4
1716.067
538
Au
10
Si
4
1717.177
539
Au
10
Si
4
1716.463
540
Au
10
Si
4
1716.084
541
Au
10
Si
4
1717.134
542
Au
10
Si
4
1716.997
543
Au
10
Si
4
1716.722
544
Au
10
Si
4
1716.066
545
Au
10
Si
4
1715.999
546
Au
10
Si
4
1717.036
547
Au
10
Si
4
1715.816
548
Au
10
Si
4
1716.812
549
Au
10
Si
4
1716.012
550
Au
10
Si
4
1716.848
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