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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)
Total energy (energy)
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
✕
Maximum force
✕
326
Au
16
Si
8
0.010
327
Au
16
Si
8
0.009
328
Au
16
Si
8
0.011
329
Au
16
Si
8
0.009
330
Au
16
Si
8
0.008
331
Au
16
Si
8
0.021
332
Au
16
Si
8
0.009
333
Au
16
Si
8
0.009
334
Au
16
Si
8
0.009
335
Au
16
Si
8
0.008
336
Au
16
Si
8
0.013
337
Au
16
Si
8
0.009
338
Au
16
Si
8
0.004
339
Au
16
Si
8
0.010
340
Au
16
Si
8
0.010
341
Au
16
Si
8
0.012
342
Au
16
Si
8
0.010
343
Au
16
Si
8
0.007
344
Au
16
Si
8
0.008
345
Au
16
Si
8
0.006
346
Au
16
Si
8
0.038
347
Au
16
Si
8
0.019
348
Au
16
Si
8
0.010
349
Au
16
Si
8
0.009
350
Au
16
Si
8
0.006
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