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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 1526-8 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
✕
1526
Au
8
Si
4
-44.346
1527
Au
8
Si
4
-44.347
1528
Au
8
Si
4
-43.792
1529
Au
8
Si
4
-43.795
1530
Au
8
Si
4
-43.777
1531
Au
8
Si
4
-44.338
1532
Au
8
Si
4
-44.349
1533
Au
8
Si
4
-44.349
1534
Au
8
Si
4
-43.757
1535
Au
8
Si
4
-43.785
1536
Au
8
Si
4
-43.779
1537
Au
8
Si
4
-43.766
1538
Au
8
Si
4
-43.793
1539
Au
8
Si
4
-43.784
1540
Au
8
Si
4
-43.799
1541
Au
8
Si
4
-43.777
1542
Au
8
Si
4
-43.776
1543
Au
8
Si
4
-43.780
1544
Au
8
Si
4
-44.341
1545
Au
8
Si
4
-43.783
1546
Au
8
Si
4
-43.788
1547
Au
8
Si
4
-43.780
1548
Au
8
Si
4
-43.802
1549
Au
8
Si
4
-43.791
1550
Au
8
Si
4
-43.782
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