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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 101-125 out of 517
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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)
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
✕
Au_rate
✕
101
Au
10
Si
6
0.625
102
Au
10
Si
6
0.625
103
Au
10
Si
6
0.625
104
Au
10
Si
6
0.625
105
Au
10
Si
6
0.625
106
Au
10
Si
6
0.625
107
Au
10
Si
6
0.625
108
Au
10
Si
6
0.625
109
Au
10
Si
6
0.625
110
Au
10
Si
6
0.625
111
Au
10
Si
6
0.625
112
Au
10
Si
6
0.625
113
Au
10
Si
6
0.625
114
Au
10
Si
6
0.625
115
Au
10
Si
6
0.625
116
Au
10
Si
6
0.625
117
Au
10
Si
6
0.625
118
Au
10
Si
6
0.625
119
Au
10
Si
6
0.625
120
Au
10
Si
6
0.625
121
Au
10
Si
6
0.625
122
Au
10
Si
6
0.625
123
Au
10
Si
6
0.625
124
Au
10
Si
6
0.625
125
Au
8
Si
4
0.667
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