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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 326-31 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)
Volume of unit cell (volume)
Rows: 25
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25
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ID
✕
Formula
✕
Username
✕
326
Au
16
Si
8
yangxb
327
Au
16
Si
8
yangxb
328
Au
16
Si
8
yangxb
329
Au
16
Si
8
yangxb
330
Au
16
Si
8
yangxb
331
Au
16
Si
8
yangxb
332
Au
16
Si
8
yangxb
333
Au
16
Si
8
yangxb
334
Au
16
Si
8
yangxb
335
Au
16
Si
8
yangxb
336
Au
16
Si
8
yangxb
337
Au
16
Si
8
yangxb
338
Au
16
Si
8
yangxb
339
Au
16
Si
8
yangxb
340
Au
16
Si
8
yangxb
341
Au
16
Si
8
yangxb
342
Au
16
Si
8
yangxb
343
Au
16
Si
8
yangxb
344
Au
16
Si
8
yangxb
345
Au
16
Si
8
yangxb
346
Au
16
Si
8
yangxb
347
Au
16
Si
8
yangxb
348
Au
16
Si
8
yangxb
349
Au
16
Si
8
yangxb
350
Au
16
Si
8
yangxb
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