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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 1551-31 out of 31
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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
✕
1551
Au
8
Si
4
-43.769
1552
Au
8
Si
4
-43.785
1553
Au
8
Si
4
-44.345
1554
Au
8
Si
4
-44.354
1555
Au
8
Si
4
-43.800
1556
Au
8
Si
4
-43.783
1557
Au
8
Si
4
-44.339
1558
Au
8
Si
4
-43.785
1559
Au
8
Si
4
-44.342
1560
Au
8
Si
4
-44.339
1561
Au
8
Si
4
-44.348
1562
Au
8
Si
4
-44.325
1563
Au
8
Si
4
-44.324
1564
Au
8
Si
4
-43.734
1565
Au
8
Si
4
-43.791
1566
Au
8
Si
4
-44.354
1567
Au
8
Si
4
-43.799
1568
Au
8
Si
4
-44.342
1569
Au
8
Si
4
-44.314
1570
Au
8
Si
4
-44.330
1571
Au
8
Si
4
-44.323
1572
Au
8
Si
4
-43.609
1573
Au
8
Si
4
-43.791
1574
Au
8
Si
4
-43.769
1575
Au
8
Si
4
-44.319
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