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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 551-575 out of 594
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Dipole_val
ads_site
atom_E
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
ads_E
✕
Calculator
✕
Age
✕
Maximum stress
✕
-1.954
vasp
15M
0.008
-1.707
vasp
15M
0.007
-3.184
vasp
15M
0.007
-4.102
vasp
15M
0.006
-3.815
vasp
15M
0.006
-4.518
vasp
15M
0.006
-3.393
vasp
15M
0.006
-0.008
vasp
15M
0.007
-2.559
vasp
15M
0.007
-0.003
vasp
15M
0.007
-2.322
vasp
15M
0.008
-2.589
vasp
15M
0.008
-4.498
vasp
15M
0.008
-5.161
vasp
15M
0.008
-3.931
vasp
15M
0.005
-5.094
vasp
15M
0.005
-4.236
vasp
15M
0.006
-0.008
vasp
15M
0.007
-1.948
vasp
15M
0.008
-1.691
vasp
15M
0.008
-3.201
vasp
15M
0.007
-4.137
vasp
15M
0.006
-3.853
vasp
15M
0.006
-4.557
vasp
15M
0.005
-3.318
vasp
15M
0.006
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