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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 1451-594 out of 594
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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)
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
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200
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ID
✕
Formula
✕
Maximum force
✕
1451
Au
8
Si
4
0.009
1452
Au
8
Si
4
0.009
1453
Au
8
Si
4
0.015
1454
Au
8
Si
4
0.006
1455
Au
8
Si
4
0.014
1456
Au
8
Si
4
0.009
1457
Au
8
Si
4
0.024
1458
Au
8
Si
4
0.017
1459
Au
8
Si
4
0.007
1460
Au
8
Si
4
0.006
1461
Au
8
Si
4
0.076
1462
Au
8
Si
4
0.087
1463
Au
8
Si
4
0.019
1464
Au
8
Si
4
0.072
1465
Au
8
Si
4
0.008
1466
Au
8
Si
4
0.008
1467
Au
8
Si
4
0.037
1468
Au
8
Si
4
0.008
1469
Au
8
Si
4
0.010
1470
Au
8
Si
4
0.048
1471
Au
8
Si
4
0.010
1472
Au
8
Si
4
0.010
1473
Au
8
Si
4
0.009
1474
Au
8
Si
4
0.037
1475
Au
8
Si
4
0.013
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