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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 2151-2175 out of 2180
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Au_rate
E
Time since creation (age)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
Calculator
✕
PBC
✕
Energy
✕
Volume
✕
Mass
✕
Si_rate
✕
vasp
TTT
-50.370
1721.671
17285.869
0.286
vasp
TTT
-50.356
1721.882
17285.869
0.286
vasp
TTT
-50.367
1721.904
17285.869
0.286
vasp
TTT
-50.373
1721.627
17285.869
0.286
vasp
TTT
-50.366
1722.046
17285.869
0.286
vasp
TTT
-50.376
1721.545
17285.869
0.286
vasp
TTT
-50.370
1721.455
17285.869
0.286
vasp
TTT
-50.365
1721.988
17285.869
0.286
vasp
TTT
-50.372
1722.266
17285.869
0.286
vasp
TTT
-50.371
1721.661
17285.869
0.286
vasp
TTT
-50.372
1721.817
17285.869
0.286
vasp
TTT
-50.373
1721.781
17285.869
0.286
vasp
TTT
-50.369
1721.511
17285.869
0.286
vasp
TTT
-50.377
1722.128
17285.869
0.286
vasp
TTT
-100.823
3441.466
17285.869
0.286
vasp
TTT
-100.830
3442.059
17285.869
0.286
vasp
TTT
-100.804
3441.406
17285.869
0.286
vasp
TTT
-100.818
3441.087
17285.869
0.286
vasp
TTT
-100.818
3442.423
17285.869
0.286
vasp
TTT
-100.834
3441.220
17285.869
0.286
vasp
TTT
-100.829
3442.681
17285.869
0.286
vasp
TTT
-100.829
3442.024
17285.869
0.286
vasp
TTT
-100.828
3442.666
17285.869
0.286
vasp
TTT
-100.815
3441.932
17285.869
0.286
vasp
TTT
-100.801
3442.444
17285.869
0.286
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