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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 851-17 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
✕
851
Au
8
Si
4
1427.109
852
Au
8
Si
4
1427.165
853
Au
8
Si
4
1443.842
854
Au
8
Si
4
1426.507
855
Au
8
Si
4
1424.655
856
Au
8
Si
4
1424.522
857
Au
8
Si
4
1426.641
858
Au
8
Si
4
1426.546
859
Au
8
Si
4
1427.431
860
Au
8
Si
4
1427.068
861
Au
8
Si
4
1427.186
862
Au
8
Si
4
1424.521
863
Au
8
Si
4
1425.727
864
Au
8
Si
4
1425.321
865
Au
8
Si
4
1444.180
866
Au
8
Si
4
1427.678
867
Au
8
Si
4
1427.145
868
Au
8
Si
4
1424.730
869
Au
8
Si
4
1427.173
870
Au
8
Si
4
1443.671
871
Au
8
Si
4
1421.742
872
Au
8
Si
4
1421.945
873
Au
8
Si
4
1422.539
874
Au
8
Si
4
1424.799
875
Au
8
Si
4
1423.441
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