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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 801-17 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
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ID
✕
Formula
✕
Energy
✕
801
Au
8
Si
4
-43.756
802
Au
8
Si
4
-43.727
803
Au
8
Si
4
-43.753
804
Au
8
Si
4
-43.724
805
Au
10
Si
4
-48.958
806
Au
16
Si
8
-87.488
807
Au
16
Si
8
-87.447
808
Au
16
Si
8
-87.489
809
Au
16
Si
8
-87.497
810
Au
16
Si
8
-87.486
811
Au
16
Si
8
-87.489
812
Au
16
Si
8
-87.487
813
Au
16
Si
8
-87.468
814
Au
16
Si
8
-87.491
815
Au
16
Si
8
-87.469
816
Au
16
Si
8
-87.493
817
Au
16
Si
8
-87.474
818
Au
8
Si
4
-44.347
819
Au
8
Si
4
-44.333
820
Au
8
Si
4
-44.355
821
Au
8
Si
4
-44.349
822
Au
8
Si
4
-44.340
823
Au
8
Si
4
-44.344
824
Au
8
Si
4
-44.342
825
Au
8
Si
4
-44.353
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