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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 351-31 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
✕
351
Au
16
Si
8
2881.975
352
Au
16
Si
8
2887.834
353
Au
16
Si
8
2882.257
354
Au
16
Si
8
2893.278
355
Au
16
Si
8
2904.710
356
Au
16
Si
8
2881.739
357
Au
16
Si
8
2887.719
358
Au
16
Si
8
2888.766
359
Au
16
Si
8
2887.625
360
Au
16
Si
8
2887.869
361
Au
16
Si
8
2887.820
362
Au
16
Si
8
2886.587
363
Au
16
Si
8
2881.649
364
Au
16
Si
8
2904.382
365
Au
16
Si
8
2882.094
366
Au
16
Si
8
2882.562
367
Au
16
Si
8
2889.258
368
Au
16
Si
8
2887.931
369
Au
16
Si
8
2889.069
370
Au
16
Si
8
2888.221
371
Au
16
Si
8
2881.444
372
Au
16
Si
8
2887.899
373
Au
16
Si
8
2881.008
374
Au
16
Si
8
2881.985
375
Au
16
Si
8
2888.225
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