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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 101-8 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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
Formula
✕
Mass
✕
E
✕
Age
✕
Volume
✕
Au
10
Si
6
2138.176
0.303
43M
1897.180
Au
10
Si
6
2138.176
0.303
43M
1897.035
Au
10
Si
6
2138.176
0.303
43M
1896.457
Au
10
Si
6
2138.176
0.303
43M
1897.214
Au
10
Si
6
2138.176
0.303
43M
1897.520
Au
10
Si
6
2138.176
0.303
43M
1897.204
Au
10
Si
6
2138.176
0.303
43M
1896.850
Au
10
Si
6
2138.176
0.303
43M
1897.356
Au
10
Si
6
2138.176
0.303
43M
1897.531
Au
10
Si
6
2138.176
0.303
43M
1897.278
Au
10
Si
6
2138.176
0.303
43M
1897.169
Au
10
Si
6
2138.176
0.303
43M
1896.927
Au
10
Si
6
2138.176
0.303
43M
1897.195
Au
10
Si
6
2138.176
0.303
43M
1897.107
Au
10
Si
6
2138.176
0.303
43M
1897.001
Au
10
Si
6
2138.176
0.303
43M
1897.627
Au
10
Si
6
2138.176
0.303
43M
1897.529
Au
10
Si
6
2138.176
0.303
43M
1897.284
Au
10
Si
6
2138.176
0.303
43M
1897.758
Au
10
Si
6
2138.176
0.303
43M
1897.504
Au
10
Si
6
2138.176
0.303
43M
1897.264
Au
10
Si
6
2138.176
0.303
43M
1897.456
Au
10
Si
6
2138.176
0.303
43M
1897.289
Au
10
Si
6
2138.176
0.303
43M
1897.282
Au
8
Si
4
1688.073
0.296
43M
1442.224
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