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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 2151-8 out of 8
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Au_rate
E
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
PBC
✕
Charge
✕
Si_rate
✕
Volume
✕
TTT
0.000
0.286
1721.671
TTT
0.000
0.286
1721.882
TTT
0.000
0.286
1721.904
TTT
0.000
0.286
1721.627
TTT
0.000
0.286
1722.046
TTT
0.000
0.286
1721.545
TTT
0.000
0.286
1721.455
TTT
0.000
0.286
1721.988
TTT
0.000
0.286
1722.266
TTT
0.000
0.286
1721.661
TTT
0.000
0.286
1721.817
TTT
0.000
0.286
1721.781
TTT
0.000
0.286
1721.511
TTT
0.000
0.286
1722.128
TTT
0.000
0.286
3441.466
TTT
0.000
0.286
3442.059
TTT
0.000
0.286
3441.406
TTT
0.000
0.286
3441.087
TTT
0.000
0.286
3442.423
TTT
0.000
0.286
3441.220
TTT
0.000
0.286
3442.681
TTT
0.000
0.286
3442.024
TTT
0.000
0.286
3442.666
TTT
0.000
0.286
3441.932
TTT
0.000
0.286
3442.444
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