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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 26-50 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
-50.373
1721.431
vasp
TTT
-50.380
1721.907
vasp
TTT
-50.378
1721.764
vasp
TTT
-50.370
1721.743
vasp
TTT
-50.379
1721.783
vasp
TTT
-50.380
1721.196
vasp
TTT
-50.383
1721.686
vasp
TTT
-50.372
1721.952
vasp
TTT
-50.365
1722.454
vasp
TTT
-50.370
1722.269
vasp
TTT
-50.375
1722.023
vasp
TTT
-50.371
1721.960
vasp
TTT
-50.378
1721.867
vasp
TTT
-50.380
1721.952
vasp
TTT
-50.379
1721.748
vasp
TTT
-50.380
1721.747
vasp
TTT
-50.381
1722.174
vasp
TTT
-50.378
1721.793
vasp
TTT
-50.365
1722.066
vasp
TTT
-50.382
1721.811
vasp
TTT
-50.373
1721.955
vasp
TTT
-50.376
1721.958
vasp
TTT
-50.381
1721.958
vasp
TTT
-50.377
1721.802
vasp
TTT
-50.373
1721.991
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