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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)
ASE-calculator name (calculator)
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
↓
ID
✕
Formula
✕
Charge
✕
1001
Au
8
Si
4
0.000
1002
Au
8
Si
4
0.000
1003
Au
8
Si
4
0.000
1004
Au
8
Si
4
0.000
1005
Au
8
Si
4
0.000
1006
Au
8
Si
4
0.000
1007
Au
8
Si
4
0.000
1008
Au
8
Si
4
0.000
1009
Au
8
Si
4
0.000
1010
Au
8
Si
4
0.000
1011
Au
8
Si
4
0.000
1012
Au
8
Si
4
0.000
1013
Au
8
Si
4
0.000
1014
Au
8
Si
4
0.000
1015
Au
8
Si
4
0.000
1016
Au
8
Si
4
0.000
1017
Au
8
Si
4
0.000
1018
Au
8
Si
4
0.000
1019
Au
8
Si
4
0.000
1020
Au
8
Si
4
0.000
1021
Au
8
Si
4
0.000
1022
Au
8
Si
4
0.000
1023
Au
8
Si
4
0.000
1024
Au
8
Si
4
0.000
1025
Au
8
Si
4
0.000
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