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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 76-100 out of 594
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Dipole_val
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)
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
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200
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ID
✕
slab_E
✕
atom_E
✕
76
-218.527
-0.039
77
-218.527
-0.349
78
-218.527
-1.248
79
-218.527
-3.124
80
-218.527
-1.533
81
-218.527
-0.424
82
-218.527
-0.013
83
-218.527
-0.225
84
-218.527
-0.004
85
-218.527
-0.295
86
-218.527
-0.830
87
-218.527
-1.888
88
-218.527
-0.945
89
-218.527
-0.243
90
-218.527
-0.025
91
-218.527
-1.117
92
-218.527
0.002
93
-218.527
-0.299
94
-218.527
-0.039
95
-218.527
-0.349
96
-218.527
-1.248
97
-218.527
-3.124
98
-218.527
-1.533
99
-218.527
-0.424
100
-218.527
-0.013
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