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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 1376-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
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)
Volume of unit cell (volume)
Rows: 25
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25
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ID
✕
Formula
✕
Calculator
✕
1376
Au
8
Si
4
vasp
1377
Au
8
Si
4
vasp
1378
Au
8
Si
4
vasp
1379
Au
8
Si
4
vasp
1380
Au
8
Si
4
vasp
1381
Au
8
Si
4
vasp
1382
Au
8
Si
4
vasp
1383
Au
8
Si
4
vasp
1384
Au
8
Si
4
vasp
1385
Au
8
Si
4
vasp
1386
Au
8
Si
4
vasp
1387
Au
8
Si
4
vasp
1388
Au
8
Si
4
vasp
1389
Au
8
Si
4
vasp
1390
Au
8
Si
4
vasp
1391
Au
8
Si
4
vasp
1392
Au
8
Si
4
vasp
1393
Au
8
Si
4
vasp
1394
Au
8
Si
4
vasp
1395
Au
8
Si
4
vasp
1396
Au
8
Si
4
vasp
1397
Au
8
Si
4
vasp
1398
Au
8
Si
4
vasp
1399
Au
8
Si
4
vasp
1400
Au
8
Si
4
vasp
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