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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 601-31 out of 31
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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
✕
601
Au
8
Si
4
-43.775
602
Au
8
Si
4
-43.222
603
Au
8
Si
4
-43.615
604
Au
8
Si
4
-43.789
605
Au
8
Si
4
-43.732
606
Au
8
Si
4
-43.237
607
Au
8
Si
4
-43.572
608
Au
8
Si
4
-43.724
609
Au
8
Si
4
-43.778
610
Au
8
Si
4
-43.796
611
Au
8
Si
4
-43.782
612
Au
8
Si
4
-43.733
613
Au
8
Si
4
-43.775
614
Au
8
Si
4
-43.720
615
Au
8
Si
4
-43.994
616
Au
8
Si
4
-43.982
617
Au
8
Si
4
-43.976
618
Au
8
Si
4
-43.989
619
Au
8
Si
4
-43.995
620
Au
8
Si
4
-43.981
621
Au
8
Si
4
-43.973
622
Au
8
Si
4
-43.994
623
Au
8
Si
4
-44.000
624
Au
8
Si
4
-43.978
625
Au
8
Si
4
-43.972
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