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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 876-31 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)
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
✕
876
Au
8
Si
4
1444.125
877
Au
8
Si
4
1427.305
878
Au
8
Si
4
1426.837
879
Au
8
Si
4
1427.302
880
Au
8
Si
4
1427.364
881
Au
8
Si
4
1443.484
882
Au
8
Si
4
1425.592
883
Au
8
Si
4
1426.701
884
Au
8
Si
4
1422.968
885
Au
8
Si
4
1426.523
886
Au
8
Si
4
1424.608
887
Au
8
Si
4
1427.164
888
Au
8
Si
4
1443.574
889
Au
8
Si
4
1443.810
890
Au
8
Si
4
1427.066
891
Au
8
Si
4
1423.756
892
Au
8
Si
4
1427.068
893
Au
8
Si
4
1426.816
894
Au
8
Si
4
1401.362
895
Au
8
Si
4
1443.700
896
Au
8
Si
4
1423.551
897
Au
8
Si
4
1427.397
898
Au
8
Si
4
1443.983
899
Au
8
Si
4
1424.132
900
Au
8
Si
4
1427.298
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