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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 1001-17 out of 17
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Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Calculator
✕
1001
Au
8
Si
4
vasp
1002
Au
8
Si
4
vasp
1003
Au
8
Si
4
vasp
1004
Au
8
Si
4
vasp
1005
Au
8
Si
4
vasp
1006
Au
8
Si
4
vasp
1007
Au
8
Si
4
vasp
1008
Au
8
Si
4
vasp
1009
Au
8
Si
4
vasp
1010
Au
8
Si
4
vasp
1011
Au
8
Si
4
vasp
1012
Au
8
Si
4
vasp
1013
Au
8
Si
4
vasp
1014
Au
8
Si
4
vasp
1015
Au
8
Si
4
vasp
1016
Au
8
Si
4
vasp
1017
Au
8
Si
4
vasp
1018
Au
8
Si
4
vasp
1019
Au
8
Si
4
vasp
1020
Au
8
Si
4
vasp
1021
Au
8
Si
4
vasp
1022
Au
8
Si
4
vasp
1023
Au
8
Si
4
vasp
1024
Au
8
Si
4
vasp
1025
Au
8
Si
4
vasp
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