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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
Time since creation (age)
atom_E
ASE-calculator name (calculator)
distance
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Charge
✕
Maximum force
✕
51
17285.869
0.000
0.004
52
17285.869
0.000
0.009
53
17285.869
0.000
0.008
54
17285.869
0.000
0.005
55
17285.869
0.000
0.010
56
17285.869
0.000
0.008
57
17285.869
0.000
0.010
58
17285.869
0.000
0.007
59
17285.869
0.000
0.009
60
17285.869
0.000
0.009
61
17285.869
0.000
0.007
62
17285.869
0.000
0.008
63
17285.869
0.000
0.010
64
17285.869
0.000
0.008
65
17285.869
0.000
0.006
66
17285.869
0.000
0.005
67
17285.869
0.000
0.005
68
17285.869
0.000
0.007
69
17285.869
0.000
0.009
70
17285.869
0.000
0.005
71
17285.869
0.000
0.010
72
17285.869
0.000
0.007
73
17285.869
0.000
0.009
74
17285.869
0.000
0.010
75
17285.869
0.000
0.010
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