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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 594
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Au_rate
Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
✕
Volume
✕
E
✕
Age
✕
51
Au
10
Si
4
1722.065
0.237
43M
52
Au
10
Si
4
1722.084
0.237
43M
53
Au
10
Si
4
1721.872
0.237
43M
54
Au
10
Si
4
1721.756
0.235
43M
55
Au
10
Si
4
1722.394
0.236
43M
56
Au
10
Si
4
1721.851
0.236
43M
57
Au
10
Si
4
1722.306
0.235
43M
58
Au
10
Si
4
1721.615
0.236
43M
59
Au
10
Si
4
1721.847
0.237
43M
60
Au
10
Si
4
1721.793
0.236
43M
61
Au
10
Si
4
1722.559
0.237
43M
62
Au
10
Si
4
1722.116
0.236
43M
63
Au
10
Si
4
1721.925
0.236
43M
64
Au
10
Si
4
1722.036
0.237
43M
65
Au
10
Si
4
1722.233
0.237
43M
66
Au
10
Si
4
1721.854
0.236
43M
67
Au
10
Si
4
1721.921
0.236
43M
68
Au
10
Si
4
1721.609
0.236
43M
69
Au
10
Si
4
1722.079
0.236
43M
70
Au
10
Si
4
1721.780
0.236
43M
71
Au
10
Si
4
1721.898
0.236
43M
72
Au
10
Si
4
1721.789
0.236
43M
73
Au
10
Si
4
1721.708
0.236
43M
74
Au
10
Si
4
1722.059
0.236
43M
75
Au
10
Si
4
1721.863
0.236
43M
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