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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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ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Mass
✕
Magnetic moment
✕
Username
✕
Dipole_val
✕
51
17285.869
-0.002
hecc
0.133
52
17285.869
-0.000
hecc
1.591
53
17285.869
-0.000
hecc
2.287
54
17285.869
0.000
hecc
-0.102
55
17285.869
0.000
hecc
-0.181
56
17285.869
0.000
hecc
-0.016
57
17285.869
-0.000
hecc
-1.996
58
17285.869
0.000
hecc
-0.158
59
17285.869
0.000
hecc
0.170
60
17285.869
-0.000
hecc
0.284
61
17285.869
0.000
hecc
0.438
62
17285.869
-0.000
hecc
0.578
63
17285.869
-0.000
hecc
1.101
64
17285.869
0.000
hecc
-0.007
65
17285.869
0.000
hecc
-3.683
66
17285.869
-0.000
hecc
-1.984
67
17285.869
-0.000
hecc
-0.572
68
17285.869
0.000
hecc
-0.022
69
17285.869
-0.000
hecc
0.189
70
17285.869
0.000
hecc
0.303
71
17285.869
0.000
hecc
1.191
72
17285.869
0.000
hecc
-0.072
73
17285.869
0.000
hecc
-0.028
74
17285.869
-0.000
hecc
-0.021
75
17285.869
0.000
hecc
-2.222
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