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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 576-594 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
-192.880
-0.025
-192.845
-0.041
111
17285.869
-195.885
-1.117
-192.845
0.281
111
17285.869
-192.846
0.002
-192.845
-0.019
111
17285.869
-195.366
-0.299
-192.845
-3.579
111
17285.869
-194.841
-0.039
-192.845
-0.919
111
17285.869
-196.257
-0.349
-192.845
0.323
111
17285.869
-197.311
-1.248
-192.845
0.960
111
17285.869
-197.708
-3.124
-192.845
1.474
111
17285.869
-197.707
-1.533
-192.845
1.815
111
17285.869
-197.040
-0.424
-192.845
1.950
111
17285.869
-192.865
-0.013
-192.845
-0.016
111
17285.869
-194.968
-0.225
-192.845
-4.587
111
17285.869
-194.352
-0.004
-192.845
-2.541
111
17285.869
-195.938
-0.295
-192.845
-0.969
111
17285.869
-197.142
-0.830
-192.845
0.022
111
17285.869
-197.546
-1.888
-192.845
0.571
111
17285.869
-197.153
-0.945
-192.845
1.109
111
17285.869
-196.079
-0.243
-192.845
1.499
111
17285.869
-192.878
-0.025
-192.845
-0.070
111
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