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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 176-8 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)
Volume of unit cell (volume)
Rows: 25
10
25
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200
Mass
✕
Maximum stress
✕
Energy
✕
Username
✕
17285.869
0.001
-43.767
yangxb
17285.869
0.001
-43.749
yangxb
17285.869
0.001
-44.350
yangxb
17285.869
0.001
-44.349
yangxb
17285.869
0.001
-43.777
yangxb
17285.869
0.001
-43.756
yangxb
17285.869
0.001
-43.783
yangxb
17285.869
0.001
-43.654
yangxb
17285.869
0.001
-43.789
yangxb
17285.869
0.001
-44.357
yangxb
17285.869
0.000
-43.749
yangxb
17285.869
0.001
-44.353
yangxb
17285.869
0.001
-43.770
yangxb
17285.869
0.001
-43.796
yangxb
17285.869
0.001
-43.977
yangxb
17285.869
0.001
-43.756
yangxb
17285.869
0.001
-44.357
yangxb
17285.869
0.001
-44.351
yangxb
17285.869
0.001
-44.354
yangxb
17285.869
0.001
-43.746
yangxb
17285.869
0.001
-44.365
yangxb
17285.869
0.001
-43.791
yangxb
17285.869
0.001
-43.749
yangxb
17285.869
0.001
-44.344
yangxb
17285.869
0.001
-44.344
yangxb
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