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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 1-25 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)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Mass
✕
PBC
✕
1
17285.869
TTT
2
17285.869
TTT
3
17285.869
TTT
4
17285.869
TTT
5
17285.869
TTT
6
17285.869
TTT
7
17285.869
TTT
8
17285.869
TTT
9
17285.869
TTT
10
17285.869
TTT
11
17285.869
TTT
12
17285.869
TTT
13
17285.869
TTT
14
17285.869
TTT
15
17285.869
TTT
16
17285.869
TTT
17
17285.869
TTT
18
17285.869
TTT
19
17285.869
TTT
20
17285.869
TTT
21
17285.869
TTT
22
17285.869
TTT
23
17285.869
TTT
24
17285.869
TTT
25
17285.869
TTT
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