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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 701-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
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
✕
Energy
✕
701
Au
16
Si
8
-87.957
702
Au
16
Si
8
-87.963
703
Au
16
Si
8
-87.958
704
Au
16
Si
8
-87.941
705
Au
16
Si
8
-87.957
706
Au
16
Si
8
-87.970
707
Au
16
Si
8
-87.954
708
Au
16
Si
8
-87.963
709
Au
16
Si
8
-87.947
710
Au
16
Si
8
-87.963
711
Au
16
Si
8
-87.941
712
Au
16
Si
8
-87.957
713
Au
16
Si
8
-87.962
714
Au
16
Si
8
-87.958
715
Au
16
Si
8
-87.956
716
Au
16
Si
8
-87.962
717
Au
16
Si
8
-87.964
718
Au
16
Si
8
-87.952
719
Au
16
Si
8
-87.964
720
Au
16
Si
8
-87.970
721
Au
16
Si
8
-87.951
722
Au
16
Si
8
-87.957
723
Au
16
Si
8
-87.951
724
Au
16
Si
8
-87.953
725
Au
16
Si
8
-87.955
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