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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 101-8 out of 8
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Au_rate
E
Time since creation (age)
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
✕
Energy
✕
Calculator
✕
TTT
0.000
0.375
1897.180
-59.682
vasp
TTT
0.000
0.375
1897.035
-59.674
vasp
TTT
0.000
0.375
1896.457
-59.675
vasp
TTT
0.000
0.375
1897.214
-59.682
vasp
TTT
0.000
0.375
1897.520
-59.671
vasp
TTT
0.000
0.375
1897.204
-59.681
vasp
TTT
0.000
0.375
1896.850
-59.683
vasp
TTT
0.000
0.375
1897.356
-59.675
vasp
TTT
0.000
0.375
1897.531
-59.673
vasp
TTT
0.000
0.375
1897.278
-59.679
vasp
TTT
0.000
0.375
1897.169
-59.682
vasp
TTT
0.000
0.375
1896.927
-59.682
vasp
TTT
0.000
0.375
1897.195
-59.682
vasp
TTT
0.000
0.375
1897.107
-59.683
vasp
TTT
0.000
0.375
1897.001
-59.682
vasp
TTT
0.000
0.375
1897.627
-59.681
vasp
TTT
0.000
0.375
1897.529
-59.670
vasp
TTT
0.000
0.375
1897.284
-59.681
vasp
TTT
0.000
0.375
1897.758
-59.679
vasp
TTT
0.000
0.375
1897.504
-59.681
vasp
TTT
0.000
0.375
1897.264
-59.682
vasp
TTT
0.000
0.375
1897.456
-59.682
vasp
TTT
0.000
0.375
1897.289
-59.683
vasp
TTT
0.000
0.375
1897.282
-59.681
vasp
TTT
0.000
0.333
1442.224
-43.735
vasp
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