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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 1451-17 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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
1451
Au
8
Si
4
0.001
1452
Au
8
Si
4
0.001
1453
Au
8
Si
4
0.001
1454
Au
8
Si
4
0.001
1455
Au
8
Si
4
0.001
1456
Au
8
Si
4
0.000
1457
Au
8
Si
4
0.001
1458
Au
8
Si
4
0.001
1459
Au
8
Si
4
0.001
1460
Au
8
Si
4
0.001
1461
Au
8
Si
4
0.001
1462
Au
8
Si
4
0.001
1463
Au
8
Si
4
0.001
1464
Au
8
Si
4
0.001
1465
Au
8
Si
4
0.001
1466
Au
8
Si
4
0.001
1467
Au
8
Si
4
0.001
1468
Au
8
Si
4
0.001
1469
Au
8
Si
4
0.001
1470
Au
8
Si
4
0.001
1471
Au
8
Si
4
0.001
1472
Au
8
Si
4
0.001
1473
Au
8
Si
4
0.001
1474
Au
8
Si
4
0.001
1475
Au
8
Si
4
0.001
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