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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 76-100 out of 414
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Au_rate
E
Time since creation (age)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Si_rate
✕
76
Au
10
Si
4
0.286
77
Au
10
Si
4
0.286
78
Au
10
Si
4
0.286
79
Au
10
Si
4
0.286
80
Au
10
Si
4
0.286
81
Au
10
Si
4
0.286
82
Au
10
Si
4
0.286
83
Au
10
Si
4
0.286
84
Au
10
Si
4
0.286
85
Au
10
Si
4
0.286
86
Au
10
Si
4
0.286
87
Au
10
Si
4
0.286
88
Au
10
Si
4
0.286
89
Au
20
Si
8
0.286
90
Au
10
Si
6
0.375
91
Au
10
Si
6
0.375
92
Au
10
Si
6
0.375
93
Au
10
Si
6
0.375
94
Au
10
Si
6
0.375
95
Au
10
Si
6
0.375
96
Au
10
Si
6
0.375
97
Au
10
Si
6
0.375
98
Au
10
Si
6
0.375
99
Au
10
Si
6
0.375
100
Au
10
Si
6
0.375
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