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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 451-31 out of 31
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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
✕
451
Au
16
Si
8
2882.064
452
Au
16
Si
8
2888.384
453
Au
16
Si
8
2881.897
454
Au
16
Si
8
2881.969
455
Au
16
Si
8
2881.886
456
Au
16
Si
8
2889.254
457
Au
16
Si
8
2881.660
458
Au
16
Si
8
2882.363
459
Au
16
Si
8
2881.998
460
Au
16
Si
8
2852.289
461
Au
16
Si
8
2852.478
462
Au
16
Si
8
2881.800
463
Au
16
Si
8
2889.518
464
Au
16
Si
8
2880.854
465
Au
16
Si
8
2851.728
466
Au
16
Si
8
2881.638
467
Au
16
Si
8
2881.212
468
Au
16
Si
8
2880.779
469
Au
16
Si
8
2882.762
470
Au
16
Si
8
2882.262
471
Au
16
Si
8
2888.156
472
Au
16
Si
8
2887.245
473
Au
16
Si
8
2887.934
474
Au
16
Si
8
2884.466
475
Au
16
Si
8
2887.959
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