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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 1476-8 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)
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
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
1476
Au
8
Si
4
-43.782
1477
Au
8
Si
4
-44.342
1478
Au
8
Si
4
-43.803
1479
Au
8
Si
4
-44.311
1480
Au
8
Si
4
-44.335
1481
Au
8
Si
4
-44.333
1482
Au
8
Si
4
-43.775
1483
Au
8
Si
4
-43.793
1484
Au
8
Si
4
-44.348
1485
Au
8
Si
4
-44.328
1486
Au
8
Si
4
-44.341
1487
Au
8
Si
4
-43.796
1488
Au
8
Si
4
-44.359
1489
Au
8
Si
4
-44.326
1490
Au
8
Si
4
-43.671
1491
Au
8
Si
4
-44.335
1492
Au
8
Si
4
-43.773
1493
Au
8
Si
4
-43.798
1494
Au
8
Si
4
-44.358
1495
Au
8
Si
4
-43.468
1496
Au
8
Si
4
-44.342
1497
Au
8
Si
4
-43.768
1498
Au
8
Si
4
-44.308
1499
Au
8
Si
4
-44.344
1500
Au
8
Si
4
-43.795
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