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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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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Mass
✕
76
Au
10
Si
4
2082.006
77
Au
10
Si
4
2082.006
78
Au
10
Si
4
2082.006
79
Au
10
Si
4
2082.006
80
Au
10
Si
4
2082.006
81
Au
10
Si
4
2082.006
82
Au
10
Si
4
2082.006
83
Au
10
Si
4
2082.006
84
Au
10
Si
4
2082.006
85
Au
10
Si
4
2082.006
86
Au
10
Si
4
2082.006
87
Au
10
Si
4
2082.006
88
Au
10
Si
4
2082.006
89
Au
20
Si
8
4164.011
90
Au
10
Si
6
2138.176
91
Au
10
Si
6
2138.176
92
Au
10
Si
6
2138.176
93
Au
10
Si
6
2138.176
94
Au
10
Si
6
2138.176
95
Au
10
Si
6
2138.176
96
Au
10
Si
6
2138.176
97
Au
10
Si
6
2138.176
98
Au
10
Si
6
2138.176
99
Au
10
Si
6
2138.176
100
Au
10
Si
6
2138.176
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