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ASE database
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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 51-75 out of 2180
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Au_rate
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Charge
✕
Si_rate
✕
Volume
✕
E
✕
51
Au
10
Si
4
43M
0.000
0.286
1722.065
0.237
52
Au
10
Si
4
43M
0.000
0.286
1722.084
0.237
53
Au
10
Si
4
43M
0.000
0.286
1721.872
0.237
54
Au
10
Si
4
43M
0.000
0.286
1721.756
0.235
55
Au
10
Si
4
43M
0.000
0.286
1722.394
0.236
56
Au
10
Si
4
43M
0.000
0.286
1721.851
0.236
57
Au
10
Si
4
43M
0.000
0.286
1722.306
0.235
58
Au
10
Si
4
43M
0.000
0.286
1721.615
0.236
59
Au
10
Si
4
43M
0.000
0.286
1721.847
0.237
60
Au
10
Si
4
43M
0.000
0.286
1721.793
0.236
61
Au
10
Si
4
43M
0.000
0.286
1722.559
0.237
62
Au
10
Si
4
43M
0.000
0.286
1722.116
0.236
63
Au
10
Si
4
43M
0.000
0.286
1721.925
0.236
64
Au
10
Si
4
43M
0.000
0.286
1722.036
0.237
65
Au
10
Si
4
43M
0.000
0.286
1722.233
0.237
66
Au
10
Si
4
43M
0.000
0.286
1721.854
0.236
67
Au
10
Si
4
43M
0.000
0.286
1721.921
0.236
68
Au
10
Si
4
43M
0.000
0.286
1721.609
0.236
69
Au
10
Si
4
43M
0.000
0.286
1722.079
0.236
70
Au
10
Si
4
43M
0.000
0.286
1721.780
0.236
71
Au
10
Si
4
43M
0.000
0.286
1721.898
0.236
72
Au
10
Si
4
43M
0.000
0.286
1721.789
0.236
73
Au
10
Si
4
43M
0.000
0.286
1721.708
0.236
74
Au
10
Si
4
43M
0.000
0.286
1722.059
0.236
75
Au
10
Si
4
43M
0.000
0.286
1721.863
0.236
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