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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 326-350 out of 517
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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
✕
326
Au
16
Si
8
2882.585
327
Au
16
Si
8
2887.803
328
Au
16
Si
8
2888.205
329
Au
16
Si
8
2880.923
330
Au
16
Si
8
2883.861
331
Au
16
Si
8
2882.664
332
Au
16
Si
8
2881.271
333
Au
16
Si
8
2883.304
334
Au
16
Si
8
2881.364
335
Au
16
Si
8
2888.380
336
Au
16
Si
8
2881.661
337
Au
16
Si
8
2887.968
338
Au
16
Si
8
2887.942
339
Au
16
Si
8
2881.839
340
Au
16
Si
8
2881.563
341
Au
16
Si
8
2889.024
342
Au
16
Si
8
2881.834
343
Au
16
Si
8
2881.715
344
Au
16
Si
8
2852.233
345
Au
16
Si
8
2880.782
346
Au
16
Si
8
2886.926
347
Au
16
Si
8
2881.276
348
Au
16
Si
8
2888.212
349
Au
16
Si
8
2880.802
350
Au
16
Si
8
2882.231
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