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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 51-75 out of 2180
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Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
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
Calculator
✕
PBC
✕
Energy
✕
Volume
✕
vasp
TTT
-50.366
1722.065
vasp
TTT
-50.363
1722.084
vasp
TTT
-50.364
1721.872
vasp
TTT
-50.381
1721.756
vasp
TTT
-50.369
1722.394
vasp
TTT
-50.380
1721.851
vasp
TTT
-50.381
1722.306
vasp
TTT
-50.374
1721.615
vasp
TTT
-50.363
1721.847
vasp
TTT
-50.375
1721.793
vasp
TTT
-50.366
1722.559
vasp
TTT
-50.375
1722.116
vasp
TTT
-50.369
1721.925
vasp
TTT
-50.366
1722.036
vasp
TTT
-50.361
1722.233
vasp
TTT
-50.374
1721.854
vasp
TTT
-50.370
1721.921
vasp
TTT
-50.379
1721.609
vasp
TTT
-50.371
1722.079
vasp
TTT
-50.379
1721.780
vasp
TTT
-50.374
1721.898
vasp
TTT
-50.379
1721.789
vasp
TTT
-50.377
1721.708
vasp
TTT
-50.369
1722.059
vasp
TTT
-50.374
1721.863
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