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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 26-8 out of 8
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Au_rate
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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
Formula
✕
E
✕
PBC
✕
Volume
✕
Age
✕
Au
10
Si
4
0.236
TTT
1721.431
43M
Au
10
Si
4
0.236
TTT
1721.907
43M
Au
10
Si
4
0.236
TTT
1721.764
43M
Au
10
Si
4
0.236
TTT
1721.743
43M
Au
10
Si
4
0.236
TTT
1721.783
43M
Au
10
Si
4
0.236
TTT
1721.196
43M
Au
10
Si
4
0.235
TTT
1721.686
43M
Au
10
Si
4
0.236
TTT
1721.952
43M
Au
10
Si
4
0.237
TTT
1722.454
43M
Au
10
Si
4
0.236
TTT
1722.269
43M
Au
10
Si
4
0.236
TTT
1722.023
43M
Au
10
Si
4
0.236
TTT
1721.960
43M
Au
10
Si
4
0.236
TTT
1721.867
43M
Au
10
Si
4
0.236
TTT
1721.952
43M
Au
10
Si
4
0.236
TTT
1721.748
43M
Au
10
Si
4
0.236
TTT
1721.747
43M
Au
10
Si
4
0.235
TTT
1722.174
43M
Au
10
Si
4
0.236
TTT
1721.793
43M
Au
10
Si
4
0.237
TTT
1722.066
43M
Au
10
Si
4
0.235
TTT
1721.811
43M
Au
10
Si
4
0.236
TTT
1721.955
43M
Au
10
Si
4
0.236
TTT
1721.958
43M
Au
10
Si
4
0.235
TTT
1721.958
43M
Au
10
Si
4
0.236
TTT
1721.802
43M
Au
10
Si
4
0.236
TTT
1721.991
43M
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