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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 414
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
326
Au
16
Si
8
-87.960
327
Au
16
Si
8
-87.571
328
Au
16
Si
8
-87.542
329
Au
16
Si
8
-87.953
330
Au
16
Si
8
-87.943
331
Au
16
Si
8
-87.946
332
Au
16
Si
8
-87.952
333
Au
16
Si
8
-87.942
334
Au
16
Si
8
-87.943
335
Au
16
Si
8
-87.575
336
Au
16
Si
8
-87.952
337
Au
16
Si
8
-87.565
338
Au
16
Si
8
-87.560
339
Au
16
Si
8
-87.951
340
Au
16
Si
8
-87.956
341
Au
16
Si
8
-87.568
342
Au
16
Si
8
-87.949
343
Au
16
Si
8
-87.936
344
Au
16
Si
8
-88.729
345
Au
16
Si
8
-87.968
346
Au
16
Si
8
-87.571
347
Au
16
Si
8
-87.962
348
Au
16
Si
8
-87.576
349
Au
16
Si
8
-87.957
350
Au
16
Si
8
-87.957
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