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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 651-17 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)
Total energy (energy)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
651
Au
10
Si
4
1716.443
652
Au
10
Si
4
1717.181
653
Au
10
Si
4
1716.151
654
Au
10
Si
4
1715.958
655
Au
10
Si
4
1717.429
656
Au
10
Si
4
1716.660
657
Au
10
Si
4
1716.132
658
Au
10
Si
4
1716.380
659
Au
10
Si
4
1716.376
660
Au
10
Si
4
1717.223
661
Au
10
Si
4
1716.610
662
Au
16
Si
8
2880.805
663
Au
16
Si
8
2881.119
664
Au
16
Si
8
2881.203
665
Au
16
Si
8
2881.106
666
Au
16
Si
8
2881.801
667
Au
16
Si
8
2881.511
668
Au
16
Si
8
2880.546
669
Au
16
Si
8
2881.090
670
Au
16
Si
8
2880.695
671
Au
16
Si
8
2880.896
672
Au
16
Si
8
2881.787
673
Au
16
Si
8
2881.631
674
Au
16
Si
8
2880.656
675
Au
16
Si
8
2880.928
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