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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)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Rows: 25
10
25
50
100
200
Mass
✕
Maximum stress
✕
Energy
✕
Username
✕
Volume
✕
17285.869
0.001
-50.378
yangxb
1721.197
17285.869
0.001
-50.382
yangxb
1721.698
17285.869
0.000
-50.378
yangxb
1721.546
17285.869
0.001
-50.376
yangxb
1721.917
17285.869
0.001
-50.381
yangxb
1721.976
17285.869
0.001
-50.382
yangxb
1722.204
17285.869
0.000
-50.377
yangxb
1721.182
17285.869
0.001
-50.374
yangxb
1721.820
17285.869
0.001
-50.376
yangxb
1721.837
17285.869
0.001
-50.380
yangxb
1722.012
17285.869
0.001
-50.377
yangxb
1721.615
17285.869
0.001
-50.378
yangxb
1721.920
17285.869
0.001
-50.377
yangxb
1721.786
17285.869
0.001
-50.370
yangxb
1721.839
17285.869
0.001
-50.381
yangxb
1721.958
17285.869
0.001
-50.375
yangxb
1721.838
17285.869
0.001
-50.378
yangxb
1721.682
17285.869
0.001
-50.378
yangxb
1722.102
17285.869
0.001
-50.374
yangxb
1722.038
17285.869
0.001
-50.377
yangxb
1721.957
17285.869
0.001
-50.381
yangxb
1721.997
17285.869
0.000
-50.372
yangxb
1721.932
17285.869
0.001
-50.372
yangxb
1721.981
17285.869
0.001
-50.372
yangxb
1721.120
17285.869
0.000
-50.372
yangxb
1721.904
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