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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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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Uniqe row ID (id)
Magnetic moment (magmom)
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
Formula
✕
Energy
✕
Charge
✕
Maximum force
✕
Mass
✕
Au
10
Si
4
-50.378
0.000
0.009
2082.006
Au
10
Si
4
-50.382
0.000
0.005
2082.006
Au
10
Si
4
-50.378
0.000
0.006
2082.006
Au
10
Si
4
-50.376
0.000
0.009
2082.006
Au
10
Si
4
-50.381
0.000
0.008
2082.006
Au
10
Si
4
-50.382
0.000
0.009
2082.006
Au
10
Si
4
-50.377
0.000
0.006
2082.006
Au
10
Si
4
-50.374
0.000
0.004
2082.006
Au
10
Si
4
-50.376
0.000
0.005
2082.006
Au
10
Si
4
-50.380
0.000
0.008
2082.006
Au
10
Si
4
-50.377
0.000
0.017
2082.006
Au
10
Si
4
-50.378
0.000
0.006
2082.006
Au
10
Si
4
-50.377
0.000
0.006
2082.006
Au
10
Si
4
-50.370
0.000
0.008
2082.006
Au
10
Si
4
-50.381
0.000
0.006
2082.006
Au
10
Si
4
-50.375
0.000
0.009
2082.006
Au
10
Si
4
-50.378
0.000
0.006
2082.006
Au
10
Si
4
-50.378
0.000
0.003
2082.006
Au
10
Si
4
-50.374
0.000
0.007
2082.006
Au
10
Si
4
-50.377
0.000
0.009
2082.006
Au
10
Si
4
-50.381
0.000
0.007
2082.006
Au
10
Si
4
-50.372
0.000
0.004
2082.006
Au
10
Si
4
-50.372
0.000
0.006
2082.006
Au
10
Si
4
-50.372
0.000
0.010
2082.006
Au
10
Si
4
-50.372
0.000
0.007
2082.006
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