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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 676-414 out of 414
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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
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200
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ID
✕
Formula
✕
Maximum force
✕
676
Au
16
Si
8
0.008
677
Au
16
Si
8
0.006
678
Au
16
Si
8
0.007
679
Au
16
Si
8
0.014
680
Au
16
Si
8
0.017
681
Au
16
Si
8
0.007
682
Au
16
Si
8
0.009
683
Au
16
Si
8
0.009
684
Au
16
Si
8
0.007
685
Au
16
Si
8
0.010
686
Au
16
Si
8
0.009
687
Au
16
Si
8
0.008
688
Au
16
Si
8
0.009
689
Au
16
Si
8
0.008
690
Au
16
Si
8
0.005
691
Au
16
Si
8
0.006
692
Au
16
Si
8
0.008
693
Au
16
Si
8
0.009
694
Au
16
Si
8
0.009
695
Au
16
Si
8
0.012
696
Au
16
Si
8
0.009
697
Au
16
Si
8
0.010
698
Au
16
Si
8
0.008
699
Au
16
Si
8
0.009
700
Au
16
Si
8
0.009
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