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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 1376-8 out of 8
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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)
Volume of unit cell (volume)
Rows: 25
10
25
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ID
✕
Formula
✕
1376
Au
8
Si
4
1377
Au
8
Si
4
1378
Au
8
Si
4
1379
Au
8
Si
4
1380
Au
8
Si
4
1381
Au
8
Si
4
1382
Au
8
Si
4
1383
Au
8
Si
4
1384
Au
8
Si
4
1385
Au
8
Si
4
1386
Au
8
Si
4
1387
Au
8
Si
4
1388
Au
8
Si
4
1389
Au
8
Si
4
1390
Au
8
Si
4
1391
Au
8
Si
4
1392
Au
8
Si
4
1393
Au
8
Si
4
1394
Au
8
Si
4
1395
Au
8
Si
4
1396
Au
8
Si
4
1397
Au
8
Si
4
1398
Au
8
Si
4
1399
Au
8
Si
4
1400
Au
8
Si
4
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