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MATLAB-code
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)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
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25
50
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ID
✕
Charge
✕
Mass
✕
51
0.000
17285.869
52
0.000
17285.869
53
0.000
17285.869
54
0.000
17285.869
55
0.000
17285.869
56
0.000
17285.869
57
0.000
17285.869
58
0.000
17285.869
59
0.000
17285.869
60
0.000
17285.869
61
0.000
17285.869
62
0.000
17285.869
63
0.000
17285.869
64
0.000
17285.869
65
0.000
17285.869
66
0.000
17285.869
67
0.000
17285.869
68
0.000
17285.869
69
0.000
17285.869
70
0.000
17285.869
71
0.000
17285.869
72
0.000
17285.869
73
0.000
17285.869
74
0.000
17285.869
75
0.000
17285.869
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