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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 1-8 out of 8
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E
Si_rate
Net charge in unit cell (charge)
Maximum force (fmax)
Uniqe row ID (id)
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)
Rows: 25
10
25
50
100
200
Formula
✕
Age
✕
Volume
✕
Au_rate
✕
Energy
✕
Calculator
✕
Au
10
Si
4
43M
1721.197
0.714
-50.378
vasp
Au
10
Si
4
43M
1721.698
0.714
-50.382
vasp
Au
10
Si
4
43M
1721.546
0.714
-50.378
vasp
Au
10
Si
4
43M
1721.917
0.714
-50.376
vasp
Au
10
Si
4
43M
1721.976
0.714
-50.381
vasp
Au
10
Si
4
43M
1722.204
0.714
-50.382
vasp
Au
10
Si
4
43M
1721.182
0.714
-50.377
vasp
Au
10
Si
4
43M
1721.820
0.714
-50.374
vasp
Au
10
Si
4
43M
1721.837
0.714
-50.376
vasp
Au
10
Si
4
43M
1722.012
0.714
-50.380
vasp
Au
10
Si
4
43M
1721.615
0.714
-50.377
vasp
Au
10
Si
4
43M
1721.920
0.714
-50.378
vasp
Au
10
Si
4
43M
1721.786
0.714
-50.377
vasp
Au
10
Si
4
43M
1721.839
0.714
-50.370
vasp
Au
10
Si
4
43M
1721.958
0.714
-50.381
vasp
Au
10
Si
4
43M
1721.838
0.714
-50.375
vasp
Au
10
Si
4
43M
1721.682
0.714
-50.378
vasp
Au
10
Si
4
43M
1722.102
0.714
-50.378
vasp
Au
10
Si
4
43M
1722.038
0.714
-50.374
vasp
Au
10
Si
4
43M
1721.957
0.714
-50.377
vasp
Au
10
Si
4
43M
1721.997
0.714
-50.381
vasp
Au
10
Si
4
43M
1721.932
0.714
-50.372
vasp
Au
10
Si
4
43M
1721.981
0.714
-50.372
vasp
Au
10
Si
4
43M
1721.120
0.714
-50.372
vasp
Au
10
Si
4
43M
1721.904
0.714
-50.372
vasp
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