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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 1451-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
1451
Au
8
Si
4
0.000
1452
Au
8
Si
4
0.000
1453
Au
8
Si
4
0.000
1454
Au
8
Si
4
0.000
1455
Au
8
Si
4
0.000
1456
Au
8
Si
4
0.000
1457
Au
8
Si
4
0.000
1458
Au
8
Si
4
0.000
1459
Au
8
Si
4
0.000
1460
Au
8
Si
4
0.000
1461
Au
8
Si
4
0.000
1462
Au
8
Si
4
0.000
1463
Au
8
Si
4
0.000
1464
Au
8
Si
4
0.000
1465
Au
8
Si
4
0.000
1466
Au
8
Si
4
0.000
1467
Au
8
Si
4
0.000
1468
Au
8
Si
4
0.000
1469
Au
8
Si
4
0.000
1470
Au
8
Si
4
0.000
1471
Au
8
Si
4
0.000
1472
Au
8
Si
4
0.000
1473
Au
8
Si
4
0.000
1474
Au
8
Si
4
0.000
1475
Au
8
Si
4
0.000
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