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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 1501-8 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)
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
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
1501
Au
8
Si
4
0.013
1502
Au
8
Si
4
0.022
1503
Au
8
Si
4
0.051
1504
Au
8
Si
4
0.007
1505
Au
8
Si
4
0.031
1506
Au
8
Si
4
0.005
1507
Au
8
Si
4
0.009
1508
Au
8
Si
4
0.138
1509
Au
8
Si
4
0.016
1510
Au
8
Si
4
0.009
1511
Au
8
Si
4
0.022
1512
Au
8
Si
4
0.052
1513
Au
8
Si
4
0.017
1514
Au
8
Si
4
0.008
1515
Au
8
Si
4
0.007
1516
Au
8
Si
4
0.007
1517
Au
8
Si
4
0.023
1518
Au
8
Si
4
0.195
1519
Au
8
Si
4
0.006
1520
Au
8
Si
4
0.009
1521
Au
8
Si
4
0.035
1522
Au
8
Si
4
0.008
1523
Au
8
Si
4
0.066
1524
Au
8
Si
4
0.010
1525
Au
8
Si
4
0.010
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