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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 1476-17 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
✕
1476
Au
8
Si
4
1443.816
1477
Au
8
Si
4
1427.571
1478
Au
8
Si
4
1443.332
1479
Au
8
Si
4
1421.439
1480
Au
8
Si
4
1424.583
1481
Au
8
Si
4
1423.360
1482
Au
8
Si
4
1444.208
1483
Au
8
Si
4
1443.596
1484
Au
8
Si
4
1424.805
1485
Au
8
Si
4
1424.708
1486
Au
8
Si
4
1426.927
1487
Au
8
Si
4
1443.791
1488
Au
8
Si
4
1427.089
1489
Au
8
Si
4
1422.915
1490
Au
8
Si
4
1455.867
1491
Au
8
Si
4
1426.748
1492
Au
8
Si
4
1444.199
1493
Au
8
Si
4
1443.521
1494
Au
8
Si
4
1427.213
1495
Au
8
Si
4
1458.426
1496
Au
8
Si
4
1427.404
1497
Au
8
Si
4
1443.585
1498
Au
8
Si
4
1424.854
1499
Au
8
Si
4
1425.497
1500
Au
8
Si
4
1443.352
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