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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)
Net charge in unit cell (charge)
Total energy (energy)
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)
Username (user)
Rows: 25
10
25
50
100
200
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ID
✕
Volume
✕
Maximum force
✕
51
4754.604
0.799
52
4371.561
1.598
53
8000.000
0.009
54
8000.000
0.010
55
8000.000
0.009
56
7542.702
0.201
57
5131.390
1.119
58
8000.000
0.009
59
7771.967
0.072
60
6701.678
0.637
61
7634.580
0.138
62
7667.294
0.063
63
7682.687
0.069
64
7721.960
0.076
65
7679.189
0.072
66
7821.192
0.042
67
7625.606
0.047
68
7729.419
0.026
69
7492.515
0.182
70
7771.328
0.075
71
7584.493
0.110
72
6626.567
0.709
73
7562.596
0.143
74
6506.858
0.441
75
8000.000
0.009
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