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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 701-8 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
✕
701
Au
16
Si
8
0.007
702
Au
16
Si
8
0.010
703
Au
16
Si
8
0.010
704
Au
16
Si
8
0.008
705
Au
16
Si
8
0.008
706
Au
16
Si
8
0.008
707
Au
16
Si
8
0.008
708
Au
16
Si
8
0.010
709
Au
16
Si
8
0.007
710
Au
16
Si
8
0.009
711
Au
16
Si
8
0.010
712
Au
16
Si
8
0.006
713
Au
16
Si
8
0.009
714
Au
16
Si
8
0.009
715
Au
16
Si
8
0.006
716
Au
16
Si
8
0.007
717
Au
16
Si
8
0.007
718
Au
16
Si
8
0.010
719
Au
16
Si
8
0.010
720
Au
16
Si
8
0.006
721
Au
16
Si
8
0.016
722
Au
16
Si
8
0.009
723
Au
16
Si
8
0.007
724
Au
16
Si
8
0.010
725
Au
16
Si
8
0.008
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