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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 476-414 out of 414
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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
✕
476
Au
16
Si
8
2880.126
477
Au
16
Si
8
2888.400
478
Au
16
Si
8
2880.962
479
Au
16
Si
8
2892.571
480
Au
16
Si
8
2888.763
481
Au
16
Si
8
2887.793
482
Au
16
Si
8
2881.935
483
Au
16
Si
8
2881.687
484
Au
16
Si
8
2881.968
485
Au
16
Si
8
2887.756
486
Au
16
Si
8
2881.930
487
Au
16
Si
8
2888.706
488
Au
16
Si
8
2886.213
489
Au
16
Si
8
2888.702
490
Au
16
Si
8
2891.064
491
Au
16
Si
8
2888.362
492
Au
16
Si
8
2882.599
493
Au
16
Si
8
2887.542
494
Au
16
Si
8
2881.085
495
Au
16
Si
8
2882.008
496
Au
16
Si
8
2881.633
497
Au
16
Si
8
2882.003
498
Au
16
Si
8
2890.287
499
Au
16
Si
8
2888.251
500
Au
16
Si
8
2881.989
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