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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 51-75 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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51
mse-gucc
52
mse-gucc
53
mse-gucc
54
mse-gucc
55
mse-gucc
56
mse-gucc
57
mse-gucc
58
mse-gucc
59
mse-gucc
60
mse-gucc
61
mse-gucc
62
mse-gucc
63
mse-gucc
64
mse-gucc
65
mse-gucc
66
mse-gucc
67
mse-gucc
68
mse-gucc
69
mse-gucc
70
mse-gucc
71
mse-gucc
72
mse-gucc
73
mse-gucc
74
mse-gucc
75
mse-gucc
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