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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)
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
↓
ID
✕
Volume
✕
Maximum force
✕
Energy
✕
51
4754.604
0.799
-599.277
52
4371.561
1.598
-593.875
53
8000.000
0.009
-594.901
54
8000.000
0.010
-596.226
55
8000.000
0.009
-594.245
56
7542.702
0.201
-598.133
57
5131.390
1.119
-597.545
58
8000.000
0.009
-597.446
59
7771.967
0.072
-587.564
60
6701.678
0.637
-587.725
61
7634.580
0.138
-586.594
62
7667.294
0.063
-586.037
63
7682.687
0.069
-590.220
64
7721.960
0.076
-590.856
65
7679.189
0.072
-584.527
66
7821.192
0.042
-584.982
67
7625.606
0.047
-586.998
68
7729.419
0.026
-587.045
69
7492.515
0.182
-587.321
70
7771.328
0.075
-587.558
71
7584.493
0.110
-585.752
72
6626.567
0.709
-585.420
73
7562.596
0.143
-596.070
74
6506.858
0.441
-596.265
75
8000.000
0.009
-595.494
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