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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 651-18 out of 18
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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
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ID
✕
Formula
✕
Maximum force
✕
651
Au
10
Si
4
0.010
652
Au
10
Si
4
0.009
653
Au
10
Si
4
0.010
654
Au
10
Si
4
0.009
655
Au
10
Si
4
0.005
656
Au
10
Si
4
0.010
657
Au
10
Si
4
0.009
658
Au
10
Si
4
0.004
659
Au
10
Si
4
0.008
660
Au
10
Si
4
0.006
661
Au
10
Si
4
0.008
662
Au
16
Si
8
0.002
663
Au
16
Si
8
0.008
664
Au
16
Si
8
0.003
665
Au
16
Si
8
0.008
666
Au
16
Si
8
0.007
667
Au
16
Si
8
0.007
668
Au
16
Si
8
0.005
669
Au
16
Si
8
0.004
670
Au
16
Si
8
0.007
671
Au
16
Si
8
0.008
672
Au
16
Si
8
0.007
673
Au
16
Si
8
0.009
674
Au
16
Si
8
0.010
675
Au
16
Si
8
0.008
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