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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 401-17 out of 17
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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
✕
401
Au
16
Si
8
2880.924
402
Au
16
Si
8
2887.419
403
Au
16
Si
8
2889.221
404
Au
16
Si
8
2852.325
405
Au
16
Si
8
2881.355
406
Au
16
Si
8
2881.630
407
Au
16
Si
8
2881.733
408
Au
16
Si
8
2853.323
409
Au
16
Si
8
2887.564
410
Au
16
Si
8
2888.165
411
Au
16
Si
8
2852.500
412
Au
16
Si
8
2888.272
413
Au
16
Si
8
2888.799
414
Au
16
Si
8
2892.504
415
Au
16
Si
8
2882.923
416
Au
16
Si
8
2888.105
417
Au
16
Si
8
2882.258
418
Au
16
Si
8
2882.063
419
Au
16
Si
8
2880.563
420
Au
16
Si
8
2883.024
421
Au
16
Si
8
2881.677
422
Au
16
Si
8
2887.320
423
Au
16
Si
8
2884.069
424
Au
16
Si
8
2852.261
425
Au
16
Si
8
2882.109
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