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MATLAB-code
ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 101-125 out of 594
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ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Mass
✕
str_E
✕
atom_E
✕
slab_E
✕
Dipole_val
✕
plane_index
✕
17285.869
-220.823
-0.225
-218.527
-6.067
110
17285.869
-220.273
-0.004
-218.527
-3.492
110
17285.869
-222.069
-0.295
-218.527
-1.522
110
17285.869
-223.274
-0.830
-218.527
-0.561
110
17285.869
-223.458
-1.888
-218.527
0.405
110
17285.869
-223.028
-0.945
-218.527
1.306
110
17285.869
-221.679
-0.243
-218.527
1.286
110
17285.869
-218.551
-0.025
-218.527
-0.163
110
17285.869
-221.776
-1.117
-218.527
0.312
110
17285.869
-218.530
0.002
-218.527
-0.024
110
17285.869
-221.011
-0.299
-218.527
-5.675
110
17285.869
-220.240
-0.039
-218.527
-1.886
110
17285.869
-221.920
-0.349
-218.527
0.023
110
17285.869
-222.605
-1.248
-218.527
0.775
110
17285.869
-222.623
-3.124
-218.527
1.821
110
17285.869
-222.603
-1.533
-218.527
2.735
110
17285.869
-222.249
-0.424
-218.527
2.894
110
17285.869
-218.546
-0.013
-218.527
-0.020
110
17285.869
-220.649
-0.225
-218.527
-6.877
110
17285.869
-219.792
-0.004
-218.527
-3.881
110
17285.869
-221.476
-0.295
-218.527
-2.381
110
17285.869
-222.175
-0.830
-218.527
-1.395
110
17285.869
-222.119
-1.888
-218.527
0.382
110
17285.869
-221.946
-0.945
-218.527
2.053
110
17285.869
-221.439
-0.243
-218.527
2.575
110
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