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ASE database
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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
perms_num
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 26-50 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
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Username
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26
mse-gucc
27
mse-gucc
28
mse-gucc
29
mse-gucc
30
mse-gucc
31
mse-gucc
32
mse-gucc
33
mse-gucc
34
mse-gucc
35
mse-gucc
36
mse-gucc
37
mse-gucc
38
mse-gucc
39
mse-gucc
40
mse-gucc
41
mse-gucc
42
mse-gucc
43
mse-gucc
44
mse-gucc
45
mse-gucc
46
mse-gucc
47
mse-gucc
48
mse-gucc
49
mse-gucc
50
mse-gucc
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