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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 651-31 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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
✕
Mass
✕
651
Au
10
Si
4
2082.006
652
Au
10
Si
4
2082.006
653
Au
10
Si
4
2082.006
654
Au
10
Si
4
2082.006
655
Au
10
Si
4
2082.006
656
Au
10
Si
4
2082.006
657
Au
10
Si
4
2082.006
658
Au
10
Si
4
2082.006
659
Au
10
Si
4
2082.006
660
Au
10
Si
4
2082.006
661
Au
10
Si
4
2082.006
662
Au
16
Si
8
3376.145
663
Au
16
Si
8
3376.145
664
Au
16
Si
8
3376.145
665
Au
16
Si
8
3376.145
666
Au
16
Si
8
3376.145
667
Au
16
Si
8
3376.145
668
Au
16
Si
8
3376.145
669
Au
16
Si
8
3376.145
670
Au
16
Si
8
3376.145
671
Au
16
Si
8
3376.145
672
Au
16
Si
8
3376.145
673
Au
16
Si
8
3376.145
674
Au
16
Si
8
3376.145
675
Au
16
Si
8
3376.145
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