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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 51-75 out of 594
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Dipole_val
ads_E
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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)
plane_index
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Age
✕
slab_E
✕
Maximum force
✕
51
15M
-165.064
0.004
52
15M
-165.064
0.009
53
15M
-165.064
0.008
54
15M
-165.064
0.005
55
15M
-218.527
0.010
56
15M
-218.527
0.008
57
15M
-218.527
0.010
58
15M
-218.527
0.007
59
15M
-218.527
0.009
60
15M
-218.527
0.009
61
15M
-218.527
0.007
62
15M
-218.527
0.008
63
15M
-218.527
0.010
64
15M
-218.527
0.008
65
15M
-218.527
0.006
66
15M
-218.527
0.005
67
15M
-218.527
0.005
68
15M
-218.527
0.007
69
15M
-218.527
0.009
70
15M
-218.527
0.005
71
15M
-218.527
0.010
72
15M
-218.527
0.007
73
15M
-218.527
0.009
74
15M
-218.527
0.010
75
15M
-218.527
0.010
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