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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 76-8 out of 8
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E
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
✕
Age
✕
Volume
✕
Au_rate
✕
76
Au
10
Si
4
43M
1722.021
0.714
77
Au
10
Si
4
43M
1722.604
0.714
78
Au
10
Si
4
43M
1721.777
0.714
79
Au
10
Si
4
43M
1721.742
0.714
80
Au
10
Si
4
43M
1721.845
0.714
81
Au
10
Si
4
43M
1721.747
0.714
82
Au
10
Si
4
43M
1721.884
0.714
83
Au
10
Si
4
43M
1721.746
0.714
84
Au
10
Si
4
43M
1722.084
0.714
85
Au
10
Si
4
43M
1722.501
0.714
86
Au
10
Si
4
43M
1721.378
0.714
87
Au
10
Si
4
43M
1721.753
0.714
88
Au
10
Si
4
43M
1722.208
0.714
89
Au
20
Si
8
43M
3442.401
0.714
90
Au
10
Si
6
43M
1897.249
0.625
91
Au
10
Si
6
43M
1897.081
0.625
92
Au
10
Si
6
43M
1897.221
0.625
93
Au
10
Si
6
43M
1897.289
0.625
94
Au
10
Si
6
43M
1897.381
0.625
95
Au
10
Si
6
43M
1897.418
0.625
96
Au
10
Si
6
43M
1897.258
0.625
97
Au
10
Si
6
43M
1897.158
0.625
98
Au
10
Si
6
43M
1897.320
0.625
99
Au
10
Si
6
43M
1897.134
0.625
100
Au
10
Si
6
43M
1897.424
0.625
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